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Sample records for transition metals alloys

  1. Laser surface alloying of aluminium-transition metal alloys

    International Nuclear Information System (INIS)

    Almeida, A.; Vilar, R.

    1998-01-01

    Laser surface alloying has been used as a tool to produce hard and corrosion resistant Al-transition metal (TM) alloys. Cr and Mo are particularly interesting alloying elements to produce stable high-strength alloys because they present low diffusion coefficients and solid solubility in Al. To produce Al-TM surface alloys a two-step laser process was developed: firstly, the material is alloyed using low scanning speed and secondly, the microstructure is modified by a refinement step. This process was used in the production of Al-Cr, Al-Mo and Al-Mo and Al-Nb surface alloys by alloying Cr, Mo or Nb powder into an Al and 7175 Al alloy substrate using a CO 2 laser . This paper presents a review of the work that has been developed at Instituto Superior Tecnico on laser alloying of Al-TM alloy, over the last years. (Author) 16 refs

  2. Phase stability of transition metals and alloys

    International Nuclear Information System (INIS)

    Hixson, R.S.; Schiferl, D.; Wills, J.M.; Hill, M.A.

    1997-01-01

    This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). This project was focused on resolving unexplained differences in calculated and measured phase transition pressures in transition metals. Part of the approach was to do new, higher accuracy calculations of transmission pressures for group 4B and group 6B metals. Theory indicates that the transition pressures for these baseline metals should change if alloyed with a d-electron donor metal, and calculations done using the Local Density Approximation (LDA) and the Virtual Crystal Approximation (VCA) indicate that this is true. Alloy systems were calculated for Ti, Zr and Hf based alloys with various solute concentrations. The second part of the program was to do new Diamond Anvil Cell (DAC) measurements to experimentally verify calculational results. Alloys were prepared for these systems with grain size suitable for Diamond Anvil Cell experiments. Experiments were done on pure Ti as well as Ti-V and Ti-Ta alloys. Measuring unambiguous transition pressures for these systems proved difficult, but a new technique developed yielded good results

  3. Stable carbides in transition metal alloys

    International Nuclear Information System (INIS)

    Piotrkowski, R.

    1991-01-01

    In the present work different techniques were employed for the identification of stable carbides in two sets of transition metal alloys of wide technological application: a set of three high alloy M2 type steels in which W and/or Mo were total or partially replaced by Nb, and a Zr-2.5 Nb alloy. The M2 steel is a high speed steel worldwide used and the Zr-2.5 Nb alloy is the base material for the pressure tubes in the CANDU type nuclear reactors. The stability of carbide was studied in the frame of Goldschmidt's theory of interstitial alloys. The identification of stable carbides in steels was performed by determining their metallic composition with an energy analyzer attached to the scanning electron microscope (SEM). By these means typical carbides of the M2 steel, MC and M 6 C, were found. Moreover, the spatial and size distribution of carbide particles were determined after different heat treatments, and both microstructure and microhardness were correlated with the appearance of the secondary hardening phenomenon. In the Zr-Nb alloy a study of the α and β phases present after different heat treatments was performed with optical and SEM metallographic techniques, with the guide of Abriata and Bolcich phase diagram. The α-β interphase boundaries were characterized as short circuits for diffusion with radiotracer techniques and applying Fisher-Bondy-Martin model. The precipitation of carbides was promoted by heat treatments that produced first the C diffusion into the samples at high temperatures (β phase), and then the precipitation of carbide particles at lower temperature (α phase or (α+β)) two phase field. The precipitated carbides were identified as (Zr, Nb)C 1-x with SEM, electron microprobe and X-ray diffraction techniques. (Author) [es

  4. Laser surface alloying of aluminium-transition metal alloys

    Directory of Open Access Journals (Sweden)

    Almeida, A.

    1998-04-01

    Full Text Available Laser surface alloying has been used as a tool to produce hard and corrosion resistant Al-transition metal (TM alloys. Cr and Mo are particularly interesting alloying elements to produce stable highstrength alloys because they present low diffusion coefficients and solid solubility in Al. To produce Al-TM surface alloys a two-step laser process was developed: firstly, the material is alloyed using low scanning speed and secondly, the microstructure is modified by a refinement step. This process was used in the production of Al-Cr, Al-Mo and Al-Nb surface alloys by alloying Cr, Mo or Nb powder into an Al and 7175 Al alloy substrate using a CO2 laser. This paper presents a review of the work that has been developed at Instituto Superior Tecnico on laser alloying of Al-TM alloys, over the last years.

    En el presente trabajo se estudia la aleación superficial mediante láser de aluminio con metales de transición. El cromo y el molibdeno son particularmente interesantes porque producen aleaciones de alta resistencia y por el bajo coeficiente de difusión y solución sólida en aluminio. Para producir estas aleaciones se ha seguido un procedimiento desarrollado en dos partes. En primer lugar, el material se alea usando una baja velocidad de procesado y en segundo lugar la estructura se modifica mediante un refinamiento posterior. Este procedimiento se ha empleado en la producción de aleaciones Al-Cr, Al-Mo y Al-Nb mediante aleación con láser de CO2 de polvos de Cr, Mo o Nb en aluminio y la aleación 7175. Este trabajo es una revisión del desarrollado en el Instituto Superior Técnico de Lisboa en los últimos años.

  5. New technique for producing the alloys based on transition metals

    International Nuclear Information System (INIS)

    Dolukhanyan, S.K.; Aleksanyan, A.G.; Shekhtman, V.Sh.; Mantashyan, A.A.; Mayilyan, D.G.; Ter-Galstyan, O.P.

    2007-01-01

    In principle new technique was elaborated for obtaining the alloys of refractory metals by their hydrides compacting and following dehydrogenation. The elaborated technique is described. The conditions of alloys formation from different hydrides of appropriate metals was investigated in detail. The influence of the process parameters such as: chemical peculiarities, composition of source hydrides, phase transformation during dehydrogenation, etc. on the alloys formation were established. The binary and tertiary alloys of α and ω phases: Ti 0 .8Zr 0 .8; Ti 0 .66Zr 0 .33; Ti 0 .3Zr 0 .8; Ti 0 .2Zr 0 .8; Ti 0 .8Hf 0 .2; Ti 0 .6Hf 0 .4Ti 0 .66Zr 0 .23Hf 0 .11; etc were recieved. Using elaborated special hydride cycle, an earlier unknown effective process for formation of alloys of transition metals was realized. The dependence of final alloy structure on the composition of initial mixture and hydrogen content in source hydrides was established

  6. Surface segregation energies in transition-metal alloys

    DEFF Research Database (Denmark)

    Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

    1999-01-01

    We present a database of 24 x 24 surface segregation energies of single transition metal impurities in transition-metal hosts obtained by a Green's-function linear-muffin-tin-orbitals method in conjunction with the coherent potential and atomic sphere approximations including a multipole correction...... to the electrostatic potential and energy. We use the database to establish the major factors which govern surface segregation in transition metal alloys. We find that the calculated trends are well described by Friedel's rectangular state density model and that the few but significant deviations from the simple...

  7. Charge transfers in complex transition metal alloys (Ti2Fe)

    International Nuclear Information System (INIS)

    Abramovici, G.

    1998-01-01

    We introduce a new non-orthogonal tight-binding model, for complex alloys, in which electronic structure is characterized by charge transfers. We give the analytic calculation of a charge transfer, in which overlapping two-center terms are rigorously taken into account. Then, we apply numerically this result to an approximant phase of a quasicrystal of Ti 2 Fe alloy. This model is more particularly adapted to transition metals, and gives realistic densities of states. (orig.)

  8. The energetics of ordered intermetallic alloys (of the transition metals)

    International Nuclear Information System (INIS)

    Watson, R.E.; Weinert, M.; Davenport, J.W.; Fernando, G.W.; Bennett, L.H.

    1992-01-01

    The atomically ordered phases in ordered transition metal alloys are discussed. This chapter is divided into: physical parameters controlling phase stability (Hume-Rothery, structural maps, Miedema Hamiltonian), wave functions ampersand band theory, comment on entropy terms, cohesive energies (electron promotion energies, Hund's rule on orbital effects), structural energies/stabilities of elemental solids, total energies and atomic positions, charge transfer (Au alloys, charge tailing), heats of formation of ordered compounds

  9. Thermophysical Property Measurements of Silicon-Transition Metal Alloys

    Science.gov (United States)

    Banish, R. Michael; Erwin, William R.; Sansoucie, Michael P.; Lee, Jonghyun; Gave, Matthew A.

    2014-01-01

    Metals and metallic alloys often have high melting temperatures and highly reactive liquids. Processing reactive liquids in containers can result in significant contamination and limited undercooling. This is particularly true for molten silicon and it alloys. Silicon is commonly termed "the universal solvent". The viscosity, surface tension, and density of several silicon-transition metal alloys were determined using the Electrostatic Levitator system at the Marshall Space Flight Center. The temperature dependence of the viscosity followed an Arrhenius dependence, and the surface tension followed a linear temperature dependence. The density of the melts, including the undercooled region, showed a linear behavior as well. Viscosity and surface tension values were obtain for several of the alloys in the undercooled region.

  10. Charge transfer in chromium-transition metal alloys

    International Nuclear Information System (INIS)

    Kulakowski, K.; Maksymowicz, A.

    1984-07-01

    The average T-matrix approximation is applied for calculations of charge transfer of 3d-electrons in transition metal alloys. The role of concentration, long-range and short-range atomic order is investigated. The results are in reasonable agreement with experimental data. (author)

  11. Discontinuous structural phase transition of liquid metal and alloys (2)

    International Nuclear Information System (INIS)

    Wang, Li; Liu, Jiantong

    2004-01-01

    The diameter (d f ) of diffusion fluid cluster before and after phase transition has been calculated in terms of the paper ''Discontinuous structural phase transition of liquid metal and alloy (1)'' Physics Letters. A 326 (2004) 429-435, to verify quantitatively the discontinuity of structural phase transition; the phenomena of thermal contraction and thermal expansion during the phase transition, together with the evolution model of discontinuous structural phase transition are also discussed in this Letter to explore further the nature of structural transition; In addition, based on the viscosity experimental result mentioned in paper [Y. Waseda, The Structure of Non-Crystalline Materials--Liquids and Amorphous Solids, McGraw-Hill, New York, 1980], we present an approach to draw an embryo of the liquid-liquid (L-L) phase diagram for binary alloys above liquidus in the paper, expecting to guide metallurgy process so as to improve the properties of alloys. The idea that controls amorphous structure and its properties by means of the L-L phase diagram for alloys and by the rapid cooling technique to form the amorphous alloy has been brought forward in the end

  12. Ferromagnetism and spin glass ordering in transition metal alloys (invited)

    Science.gov (United States)

    Crane, S.; Carnegie, D. W., Jr.; Claus, H.

    1982-03-01

    Magnetic properties of transition metal alloys near the percolation threshold are often complicated by metallurgical effects. Alloys like AuFe, VFe, CuNi, RhNi, and PdNi are in general not random solid solutions but have various degrees of atomic clustering or short-range order (SRO), depending on the heat treatment. First, it is shown how the magnetic ordering temperature of these alloys varies with the degree of clustering or SRO. Second, by systematically changing this degree of clustering or SRO, important information can be obtained about the magnetic phase diagram. In all these alloys below the percolation limit, the onset of ferromagnetic order is probably preceded by a spin glass-type ordering. However, details of the magnetic phase diagram near the critical point can be quite different alloy systems.

  13. Structural models for amorphous transition metal binary alloys

    International Nuclear Information System (INIS)

    Ching, W.Y.; Lin, C.C.

    1976-01-01

    A dense random packing of 445 hard spheres with two different diameters in a concentration ratio of 3 : 1 was hand-built to simulate the structure of amorphous transition metal-metalloid alloys. By introducing appropriate pair potentials of the Lennard-Jones type, the structure is dynamically relaxed by minimizing the total energy. The radial distribution functions (RDF) for amorphous Fe 0 . 75 P 0 . 25 , Ni 0 . 75 P 0 . 25 , Co 0 . 75 P 0 . 25 are obtained and compared with the experimental data. The calculated RDF's are resolved into their partial components. The results indicate that such dynamically constructed models are capable of accounting for some subtle features in the RDF of amorphous transition metal-metalloid alloys

  14. Magnetic properties of fcc Ni-based transition metal alloy

    Czech Academy of Sciences Publication Activity Database

    Kudrnovský, Josef; Drchal, Václav

    2009-01-01

    Roč. 100, č. 9 (2009), s. 1193-1196 ISSN 1862-5282 R&D Projects: GA MŠk OC 150; GA AV ČR IAA100100616 Institutional research plan: CEZ:AV0Z10100520 Keywords : transition metal alloys * Ni-based * pair exchange interactions * Curie temperatures * renormalized RPA Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.862, year: 2009

  15. Electrical and Magnetic Properties of Binary Amorphous Transition Metal Alloys.

    Science.gov (United States)

    Liou, Sy-Hwang

    The electrical, superconductive and magnetic properties of several binary transition metal amorphous and metastable crystalline alloys, Fe(,x)Ti(,100-x) (30 (LESSTHEQ) x (LESSTHEQ) 100), Fe(,x)Zr(,100-x) (20 (LESSTHEQ) x (LESSTHEQ) 93), Fe(,x)Hf(,100-x) (20 (LESSTHEQ) x (LESSTHEQ) 100), Fe(,x)Nb(,100 -x) (22 (LESSTHEQ) x (LESSTHEQ) 85), Ni(,x)Nb(,100-x) (20 (LESSTHEQ) x (LESSTHEQ) 80), Cu(,x)Nb(,100-x) (10 (LESSTHEQ) x (LESSTHEQ) 90) were studied over a wide composition range. Films were made using a magnetron sputtering system, and the structure of the films was investigated by energy dispersive x-ray diffraction. The composition region of each amorphous alloys system was determined and found in good agreement with a model proposed by Egami and Waseda. The magnetic properties and hyperfine interactions in the films were investigated using a conventional Mossbauer spectrometer and a ('57)Co in Rh matrix source. In all Fe-early transition metal binary alloys systems, Fe does not retain its moment in the low iron concentration region and the result is that the critical concentration for magnetic order (x(,c)) is much larger than anticipated from percolation considerations. A direct comparison between crystalline alloys and their amorphous counterparts of the same composition illustrate no clear correlation between crystalline and amorphous states. Pronounced discontinuities in the magnetic properties with variation in Fe content of all Fe-early transition metal alloys at phase boundaries separating amorphous and crystalline states have been observed. This is caused by the differences in the atomic arrangement and the electronic structure between crystalline and amorphous solids. The temperature dependence of resistivity, (rho)(T), of several binary amorphous alloys of Fe-TM (where TM = Ti, Zr, Hf, Nb etc.) has been studied from 2K to 300K. The Fe-poor (x x(,c)) samples have distinctive differences in (rho)(T) at low temperature (below 30K). All the magnetic samples

  16. Thermal plasma synthesis of transition metal nitrides and alloys

    International Nuclear Information System (INIS)

    Ronsheim, P.; Christensen, A.N.; Mazza, A.

    1981-01-01

    Applications of arc plasma processing to high-temperature chemistry of Group V nitrides and Si and Ge alloys are studied. The transition metal nitrides 4f-VN, 4f-NbN, and 4f-TaN are directly synthesized in a dc argon-nitrogen plasma from powders of the metals. A large excess of N 2 is required to form stoichiometric 4f-VN, while the Nb and Ta can only be synthesized with a substoichiometric N content. In a dc argon plasma the alloys V 3 Si, VSi 2 , NbSi 2 , NbGe 2 , Cr 3 Si, and Mo 3 Si are obtained from powder mixtures of the corresponding elements. The compounds are identified by x-ray diffraction patterns and particle shape and size are studied by electron microscopy

  17. Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

    KAUST Repository

    Kanoun, Mohammed; Goumri-Said, Souraya

    2014-01-01

    We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1-xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young's modulus, and Poisson's ratio provides insights regarding the mechanical behavior of Zr1-xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal. © 2014 Elsevier B.V.

  18. Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

    KAUST Repository

    Kanoun, Mohammed

    2014-09-01

    We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1-xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young\\'s modulus, and Poisson\\'s ratio provides insights regarding the mechanical behavior of Zr1-xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal. © 2014 Elsevier B.V.

  19. Heat of solution and site energies of hydrogen in disordered transition-metal alloys

    International Nuclear Information System (INIS)

    Brouwer, R.C.; Griessen, R.

    1989-01-01

    Site energies, long-range effective hydrogen-hydrogen interactions, and the enthalpy of solution in transition-metal alloys are calculated by means of an embedded-cluster model. The energy of a hydrogen atom is assumed to be predominantly determined by the first shell of neighboring metal atoms. The semiempirical local band-structure model is used to calculate the energy of the hydrogen atoms in the cluster, taking into account local deviations from the average lattice constant. The increase in the solubility limit and the weak dependence of the enthalpy of solution on hydrogen concentration in disordered alloys are discussed. Calculated site energies and enthalpies of solution in the alloys are compared with experimental data, and good agreement is found. Due to the strong interactions with the nearest-neighbor metal atoms, hydrogen atoms can be used to determine local lattice separations and the extent of short-range order in ''disordered'' alloys

  20. Spontaneous magnetization of thin films of ordered and disordered alloys of transition metals

    International Nuclear Information System (INIS)

    Nguyen Nhat Khanh.

    1989-12-01

    A method of calculation of spontaneous magnetization of thin films of transition metal alloys is described. The method is based on the Hubbard model for d electrons. Use of the Bragg-Williams approximation and two-dimensional canonical transformations has allowed to calculate the magnetization. Results for a Ni 3 Fe thin film are presented. (author). 11 refs, 1 fig

  1. Formation and Applications of Bulk Glassy Alloys in Late Transition Metal Base System

    International Nuclear Information System (INIS)

    Inoue, Akihisa; Shen Baolong

    2006-01-01

    This paper reviews our recent results of the formation, fundamental properties, workability and applications of late transition metal (LTM) base bulk glassy alloys (BGAs) developed since 1995. The BGAs were obtained in Fe-(Al,Ga)-(P,C,B,Si), Fe-(Cr,Mo)-(C,B), Fe-(Zr,Hf,Nb,Ta)-B, Fe-Ln-B(Ln=lanthanide metal), Fe-B-Si-Nb and Fe-Nd-Al for Fe-based alloys, Co-(Ta,Mo)-B and Co-B-Si-Nb for Co-based alloys, Ni-Nb-(Ti,Zr)-(Co,Ni) for Ni-based alloys, and Cu-Ti-(Zr,Hf), Cu-Al-(Zr,Hf), Cu-Ti-(Zr,Hf)-(Ni,Co) and Cu-Al-(Zr,Hf)-(Ag,Pd) for Cu-based alloys. These BGAs exhibit useful properties of high mechanical strength, large elastic elongation and high corrosion resistance. In addition, Fe- and Co-based glassy alloys have good soft magnetic properties which cannot be obtained for amorphous and crystalline type magnetic alloys. The Fe- and Ni-based BGAs have already been used in some application fields. These LTM base BGAs are promising as new metallic engineering materials

  2. Magnetic susceptibility of transition metal alloys with a hcp structure

    International Nuclear Information System (INIS)

    Volkenshtejn, N.V.; Galoshina, Eh.V.; Gorina, N.B.; Korenovskij, N.L.; Polyakova, V.P.; Savitskij, E.M.

    1978-01-01

    The angular dependence of the magnetic susceptibility of single crystals of Ru-Nb, Re-W and Os-Re alloys is investigated in the region of the hexagonal closely packed structure. The spin susceptibility is estimated on the basis of available data on the electron specific heat. The principal values of the orbital component of the susceptibility are determined under the assumption of isotopy of the spin contribution to the susceptibility. In Ru-Nb alloys the magnitudes of the orbital contributions and the susceptibility anisotropy are found to increase; in Re-W the spin contribution is noticeably greater whereas the orbital susceptibility is smaller, as is the anistropy. In the Os-Re alloy the orbital contributions increase and the susceptibility anisotropy is constant. It is suggested that the addition of the second component changes the overlapping of the d-electron wave functions

  3. Band shift of 2D transition-metal dichalcogenide alloys: size and composition effects

    Science.gov (United States)

    Zhao, Yipeng; Zhang, Zhe; Ouyang, Gang

    2018-04-01

    Band engineering of 2D transition-metal dichalcogenides (2D-TMDs) is a vital task for their applications in electronic and optoelectronic nanodevices. In this study, we investigate the joint effect from size and composition contributions on the band shift of 2D-TMD alloys in terms of atomic bond relaxation consideration. A theoretical model is proposed to pursue the underlying mechanism, which can connect the band offset with the atomic bonding identities in the 2D-TMD alloys. We reveal that the bandgap of 2D-TMD alloys presents a bowing shape owing to the size-dependent interaction among atoms and shows blue shift or red shift due to different intermixing of components. It is demonstrated that both size and composition can be performed as the useful methods to modulate the band shift, which suggests an effective way to realize the desirable properties of 2D-TMD alloys.

  4. Magnetic properties of fcc Ni-based transition metal alloy

    Czech Academy of Sciences Publication Activity Database

    Kudrnovský, Josef; Drchal, Václav; Bruno, P.

    2008-01-01

    Roč. 77, č. 22 (2008), 224422/1-224422/8 ISSN 1098-0121 R&D Projects: GA MŠk OC 150; GA AV ČR IAA100100616; GA ČR GA202/07/0456 Institutional research plan: CEZ:AV0Z10100520 Keywords : Ni-based alloys * magnetic properties * Curie temperatures Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.322, year: 2008

  5. Photoelectron spectroscopic studies of some transition metals and alloys

    International Nuclear Information System (INIS)

    McLachlan, A.D.

    1974-01-01

    Photoelectron spectra of polycrystalline samples of Cu, Ag and Au at photon energies of 21.22, 40.81 eV and 1487 eV were measured. The corrected 40.81 eV results were compared to theoretical band structure calculations and monochromatized x-ray photoelectron results. Correlation of hitherto unresolved peaks in the 40.81 eV spectra was observed. Comparison of the relative intensities of the spectral d bands and the theoretical calculations revealed discrepancies which were assigned to matrix element modulation effects in the photoelectron emission process. Experimental measurements and theories of the electronic structure of disordered alloy systems were reviewed. The 21.22 eV and 40.81 eV photoelectron spectra of some AgPd and AgAu alloys were measured. The spectra were compared with previous x-ray photon results, and with theoretical calculations based on the Coherent Potential Approximation (CPA) model of disordered alloy systems. The present results were found to give more clearly defined spectral details, with differences in the comparison reflecting the simplifying assumptions of the CPA calculation. (author)

  6. Magnetoconductance of amorphous Yx-Si1-x alloys near the metal-insulator transition

    International Nuclear Information System (INIS)

    Sanquer, M.; Tourbot, R.; Boucher, B.

    1989-01-01

    We have performed magnetoresistance experiments across the Metal-Insulator transition in amorphous Y x -Si 1-x alloys using very high fields (H = 40T) and very low temperatures (T = 0.05K). Different and unusual behaviours are observed and can be explained assuming that the electron-electron interaction contribution dominates at low fields and localization corrections appears at very high fields. This is the opposite situation compared to usual weak localization regime

  7. CPA theory of the magnetization in rare earth transition metal alloys

    International Nuclear Information System (INIS)

    Szpunar, B.; Lindgaard, P.A.

    1976-11-01

    Calculations were made of the magnetic moment per atom of the transition metal and the rare earth metal in the intermetallic compounds, Gdsub(1-x)Nisub(x), Gdsub(1-x)Fesub(x), Gdsub(1-x)Cosub(x), and Ysub(1-x)Cosub(x). A simple model of the disordered alloy consisting of spins localized on the rare earth atoms and interacting with a narrow d-band is considered. The magnetic moment of the alloy at zero temperature is calculated within the molecular field and Hartree-Fock approximations. Disorder is treated in the coherent potential approximation. Results are in good agreement with the experimental data obtained for the crystalline and amorphous intermetallic compounds. It is shown that the temperature dependence of the magnetic moments and Curie and ferrimagnetic compensation temperatures can be accounted for by a simple model assuming a RKKY interaction between the rare-earth moments and the transition metal pseudo spin. The interaction is mediated by an effective alloy medium calculated using the CPA theory and elliptic densities of states. (Auth.)

  8. Ab-initio vibrational properties of transition metal chalcopyrite alloys determined as high-efficiency intermediate-band photovoltaic materials

    International Nuclear Information System (INIS)

    Palacios, P.; Aguilera, I.; Wahnon, P.

    2008-01-01

    In this work, we present frozen phonon and linear response ab-initio research into the vibrational properties of the CuGaS 2 chalcopyrite and transition metal substituted (CuGaS 2 )M alloys. These systems are potential candidates for developing a novel solar-cell material with enhanced optoelectronic properties based in the implementation of the intermediate-band concept. We have previously carried out ab-initio calculations of the electronic properties of these kinds of chalcopyrite metal alloys showing a narrow transition metal band isolated in the semiconductor band gap. The substitutes used in the present work are the 3d metal elements, Titanium and Chromium. For the theoretical calculations we use standard density functional theory at local density and generalized gradient approximation levels. We found that the optical phonon branches of the transition metal chalcopyrite, are very sensitive to the specific bonding geometry and small changes in the transition metal environment

  9. Controllable Synthesis of Band Gap-Tunable and Monolayer Transition Metal Dichalcogenide Alloys

    Directory of Open Access Journals (Sweden)

    Sheng-Han eSu

    2014-07-01

    Full Text Available The electronic and optical properties of transition metal dichalcogenide (TMD materials are directly governed by their energy gap; thus, the band gap engineering has become an important topic recently. Theoretical and some experimental results have indicated that these monolayer TMD alloys exhibit direct-gap properties and remain stable at room temperature, making them attractive for optoelectronic applications. Here we systematically compared the two approaches of forming MoS2xSe2(1-x monolayer alloys: selenization of MoS2 and sulfurization of MoSe2. The optical energy gap of as-grown CVD MoS2 can be continuously modulated from 1.86 eV (667 nm to 1.57 eV (790 nm controllable by the reaction temperature. Spectroscopic and microscopic evidences show that the Mo-S bonds can be replaced by the Mo-Se bonds in a random and homogeneous manner. By contrast, the replacement of Mo-Se by Mo-S does not randomly occur in the MoSe2 lattice, where the reaction preferentially occurs along the crystalline orientation of MoSe2 and thus the MoSe2/MoS2 biphases are easily observed in the alloys, which makes the optical band gap of these alloys distinctly different. Therefore, the selenization of metal disulfide is preferred and the proposed synthetic strategy opens up a simple route to control the atomic structure as well as optical properties of monolayer TMD alloys.

  10. Thermochemical Properties of Group IVB and VB Transition Metal Alloys with Platinum Group Metals: Acid - Stabilization.

    Science.gov (United States)

    Cima, Michael John

    Solid-state galvanic cell measurements and oxide equilibration experiments are used to derive thermochemical quantities for a variety of acid-base stabilized alloys such as Nb-Pd, Nb-Rh, Ti-Pd, and Ti-Rh. The experiments have effectively resulted in the titration of palladium by niobium metal. The excess partial molar Gibbs energy of niobium at infinite dilution was determined to be -62 kcal/mole at 1000^circ C and the Gibbs energy of formation of {rm NbPd}_{3.55} is -42 kcal/mole. These results and those for the other systems are used to assess the importance of crystal field effects in the context of the generalized Lewis acid-base theory.

  11. Application of machine-learning methods to solid-state chemistry: ferromagnetism in transition metal alloys

    International Nuclear Information System (INIS)

    Landrum, G.A.Gregory A.; Genin, Hugh

    2003-01-01

    Machine-learning methods are a collection of techniques for building predictive models from experimental data. The algorithms are problem-independent: the chemistry and physics of the problem being studied are contained in the descriptors used to represent the known data. The application of a variety of machine-learning methods to the prediction of ferromagnetism in ordered and disordered transition metal alloys is presented. Applying a decision tree algorithm to build a predictive model for ordered phases results in a model that is 100% accurate. The same algorithm achieves 99% accuracy when trained on a data set containing both ordered and disordered phases. Details of the descriptor sets for both applications are also presented

  12. Upper critical fields and superconducting transition temperatures of some zirconium-base amorphous transition-metal alloys

    International Nuclear Information System (INIS)

    Karkut, M.G.; Hake, R.R.

    1983-01-01

    Superconducting upper critical fields H/sub c/2(T), transition temperatures T/sub c/, and normal-state electrical resistivities rho/sub n/ have been measured in the amorphous transition-metal alloy series Zr/sub 1-z/Co/sub x/, Zr/sub 1-x/Ni/sub x/, (Zr/sub 1-x/Ti/sub x/)/sub 0.78/Ni/sub 0.22/, and (Zr/sub 1-x/Nb/sub x/)/sub 0.78/Ni/sub 0.22/. Structural integrity of these melt-spun alloys is indicated by x-ray, density, bend-ductility, normal-state electrical resistivity, superconducting transition width, and mixed-state flux-pinning measurements. The specimens display T/sub c/ = 2.1--3.8 K, rho/sub n/ = 159--190 μΩ cm, and Vertical Bar(dH/sub c/2/dT)cVertical Bar = 28--36 kG/K. These imply electron mean free paths lroughly-equal2--6 A, zero-temperature Ginzburg-Landau coherence distances xi/sub G/0roughly-equal50--70 A, penetration depths lambda/sub G/0roughly-equal(7--10) x 10 3 A, and extremely high dirtiness parameters xi 0 /lroughly-equal300--1300. All alloys display H/sub c/2(T) curves with negative curvature and (with two exceptions) fair agreement with the standard dirty-limit theory of Werthamer, Helfand, Hohenberg, and Maki (WHHM) for physically reasonable values of spin-orbit-coupling induced, electron-spin-flip scattering time tau/sub so/. This is in contrast to the anomalously elevated H/sub c/2(T) behavior which is nearly linear in T that is observed by some, and the unphysically low-tau/sub so/ fits to WHHM theory obtained by others, for various amorphous alloys

  13. Crystal-Structure Contribution to the Solid Solubility in Transition Metal Alloys

    DEFF Research Database (Denmark)

    Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

    1998-01-01

    The solution energies of 4d metals in other 4d metals as well as the bcc-hcp structural energy differences in random 4d alloys are calculated by density functional theory. It is shown that the crystal structure of the host plays a crucial role in the solid solubility. A local virtual bond...

  14. Learning structure-property relationship in crystalline materials: A study of lanthanide-transition metal alloys

    Science.gov (United States)

    Pham, Tien-Lam; Nguyen, Nguyen-Duong; Nguyen, Van-Doan; Kino, Hiori; Miyake, Takashi; Dam, Hieu-Chi

    2018-05-01

    We have developed a descriptor named Orbital Field Matrix (OFM) for representing material structures in datasets of multi-element materials. The descriptor is based on the information regarding atomic valence shell electrons and their coordination. In this work, we develop an extension of OFM called OFM1. We have shown that these descriptors are highly applicable in predicting the physical properties of materials and in providing insights on the materials space by mapping into a low embedded dimensional space. Our experiments with transition metal/lanthanide metal alloys show that the local magnetic moments and formation energies can be accurately reproduced using simple nearest-neighbor regression, thus confirming the relevance of our descriptors. Using kernel ridge regressions, we could accurately reproduce formation energies and local magnetic moments calculated based on first-principles, with mean absolute errors of 0.03 μB and 0.10 eV/atom, respectively. We show that meaningful low-dimensional representations can be extracted from the original descriptor using descriptive learning algorithms. Intuitive prehension on the materials space, qualitative evaluation on the similarities in local structures or crystalline materials, and inference in the designing of new materials by element substitution can be performed effectively based on these low-dimensional representations.

  15. Proofs of cluster formation and transitions in liquid metals and alloys

    International Nuclear Information System (INIS)

    Filippov, E.S.

    1985-01-01

    Calculational and experimental proofs are presented indicating to existence of clusters in liquid metals and alloys. Systems of liquid alloys both on the base of ferrous metals and non-ferrous metals (Fe-C, Ni-C, Co-C, Fe-Ni, Ni-Mo, Co-Cr, Co-V as well as In-Sn, Bi-Sn, Si-Ge and others) are studied experimentally. It is shown that the general feature of the systems studied is sensitivity of a volume to change in structure, to replacement fcc structure on bcc or to initiation-dissociation of intermetallic compounds AxBy. It is shown that both in pure liquid metals and in their.alloys there are clusters as ordered aggregate of atoms

  16. Estimation of Enthalpy of Formation of Liquid Transition Metal Alloys: A Modified Prescription Based on Macroscopic Atom Model of Cohesion

    Science.gov (United States)

    Raju, Subramanian; Saibaba, Saroja

    2016-09-01

    The enthalpy of formation Δo H f is an important thermodynamic quantity, which sheds significant light on fundamental cohesive and structural characteristics of an alloy. However, being a difficult one to determine accurately through experiments, simple estimation procedures are often desirable. In the present study, a modified prescription for estimating Δo H f L of liquid transition metal alloys is outlined, based on the Macroscopic Atom Model of cohesion. This prescription relies on self-consistent estimation of liquid-specific model parameters, namely electronegativity ( ϕ L) and bonding electron density ( n b L ). Such unique identification is made through the use of well-established relationships connecting surface tension, compressibility, and molar volume of a metallic liquid with bonding charge density. The electronegativity is obtained through a consistent linear scaling procedure. The preliminary set of values for ϕ L and n b L , together with other auxiliary model parameters, is subsequently optimized to obtain a good numerical agreement between calculated and experimental values of Δo H f L for sixty liquid transition metal alloys. It is found that, with few exceptions, the use of liquid-specific model parameters in Macroscopic Atom Model yields a physically consistent methodology for reliable estimation of mixing enthalpies of liquid alloys.

  17. Physical properties of Pd and Al transition metals and Pd-Al binary metal alloy investigated by using molecular dynamics simulation

    International Nuclear Information System (INIS)

    Coruh, A.; Uludogan, M.; Tomak, M.; Cagin, T.

    2002-01-01

    In this study, physical properties, such as Pair Distribution Function g(r), Structure Factor S(k)''1'',''4, Diffusion Coefficient D''2''.''4, Intermediate Scattering function S(k,t)''3'',''4 and Dynamical Structure Factor S(k,w)''3'',''4 of some transition metals and metal alloys are investigated by using molecular dynamics simulation method. The simulation is specified for Pd, Al transition metals and Pd-Al binary metal alloys in the liquid form for different concentrations and at various temperatures by using Quantum Sutton-Chen (Q-SC) inter atomic potential. Intermediate scattering function and dynamical structure factor are calculated for various values of wave vector k. Results are in good agreement with published data''1'',''3'',''4

  18. Entropic stabilisation of topologically close-packed phases in binary transition-metal alloys

    Energy Technology Data Exchange (ETDEWEB)

    Hammerschmidt, Thomas; Fries, Suzana G.; Steinbach, Ingo; Drautz, Ralf [ICAMS, Ruhr-Universitaet Bochum, Bochum (Germany); Seiser, Bernhard; Pettifor, David G. [Department of Materials, University of Oxford, Oxford (United Kingdom)

    2010-07-01

    The formation of topologically close-packed (tcp) phases in Ni-based superalloys leads to the degradation of the mechanical properties of the alloys. The precipitation of the tcp phases is attributed to refractory elements that are added in low concentration to improve creep resistance. It is well known that the structural stability of the tcp phases A15, {sigma} and {chi} is driven by the average d-band filling. For a direct comparison to experimental phase diagrams, we carried out extensive density-functional theory (DFT) calculations of the tcp phases A15, C14, C15, C36, {mu}, {sigma}, and {chi} in tcp-forming binary transition-metal (TM) systems. We observe several systems such as W-Re with positive values of the heat of formation for all tcp phases although some of the phases are observed experimentally. By combining our DFT total energies with the CALPHAD methodology, we can demonstrate that configurational entropy can stabilise the tcp phases in these systems.

  19. Theory of Temperature Dependence of the Magnetization in Rare-Earth-Transition-Metal Alloys

    DEFF Research Database (Denmark)

    Szpunar, B.; Lindgård, Per-Anker

    1977-01-01

    -spin. The interaction is mediated by an effective alloy medium calculated using the CPA theory and elliptic densities of states. Es wird gezeigt, daß die Temperaturabhängigkeit der magnetischen Momente und die Curie-Temperatur sowie die Temperatur der ferrimagnetischen Kompensation für Gd1-xTx (T = Co, Ni und Fe) und Y......1-xCox durch ein einfaches Model1 erklärt werden können, das eine RKKY-Wechsel-wirkung zwischen den Momenten der Seltenen Erden und des Pseudo-Spins des Übergangsmetalls annimmt. Die Wechselwirkung wird durch ein effektives Legierungsmedium übermittelt, das mit der CPA-Theorie und elliptischen......It is shown that the temperature dependence of the magnetic moments and Curie and ferrimagnetic compensation temperatures for Gdl-xTx (T = Co, Ni, and Fe) and Y1-xCox can be accounted for by a simple model assuming a RKKY interaction between the rare-earth moments and the transition-metal pseudo...

  20. Multi-body forces and the energetics of transition metals, alloys, and semiconductors

    International Nuclear Information System (INIS)

    Carlsson, A.E.

    1992-01-01

    Progress over the past year is divided into 3 areas: potential-energy functions for transition-metal aluminides; electronic structure and energetics of complex structures and quasicrystals; and ceramic materials (PdO, PtO)

  1. Abrupt symmetry decrease in the ThT2Al20 alloys (T = 3d transition metal)

    International Nuclear Information System (INIS)

    Uziel, A.; Bram, A.I.; Venkert, A.; Kiv, A.E.; Fuks, D.; Meshi, L.

    2015-01-01

    Th-T-Al system, where T-3d transition metals, was studied at ThT 2 Al 20 stoichiometry to establish the influence of T on the structural stability of ternary aluminide formed. Different alloys were prepared, varying T in the row from Ti to Fe. Using electron microscopy and X-ray diffraction methods it was found that ThT 2 Al 20 phase adopts CeCr 2 Al 20 structure type when T = Ti, V, and Cr. Starting from Mn, the symmetry of the stable Al-rich phase, which forms in the alloys with the same composition, decreases from cubic to orthorhombic. The results of Density Functional Theory (DFT) calculations coincide with experiments. Concepts of the Theory of Coordination Compounds and Jahn–Teller effect were used to explain the observed abrupt change of the symmetry. These considerations were supported by DFT calculations. - Highlights: • Type of transition metal influences symmetry change in the ThT 2 Al 20 alloys. • It was found that cubic ThT 2 Al 20 phase is stable for T = Ti, V and Cr. • When T = Mn, Fe–Al + orthorhombic ThT 2 Al 10 are formed, lowering the symmetry. • Experimental results and DFT calculations were in full agreement. • TCC and of Jahn–Teller effect were used for explanation of the results

  2. Abrupt symmetry decrease in the ThT{sub 2}Al{sub 20} alloys (T = 3d transition metal)

    Energy Technology Data Exchange (ETDEWEB)

    Uziel, A.; Bram, A.I. [Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva, 8410501 (Israel); Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Beer-Sheva, 8410501 (Israel); Venkert, A. [Nuclear Research Center-Negev, POB 9001, Beer-Sheva (Israel); Kiv, A.E.; Fuks, D. [Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva, 8410501 (Israel); Meshi, L., E-mail: louisa@bgu.ac.il [Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva, 8410501 (Israel); Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Beer-Sheva, 8410501 (Israel)

    2015-11-05

    Th-T-Al system, where T-3d transition metals, was studied at ThT{sub 2}Al{sub 20} stoichiometry to establish the influence of T on the structural stability of ternary aluminide formed. Different alloys were prepared, varying T in the row from Ti to Fe. Using electron microscopy and X-ray diffraction methods it was found that ThT{sub 2}Al{sub 20} phase adopts CeCr{sub 2}Al{sub 20} structure type when T = Ti, V, and Cr. Starting from Mn, the symmetry of the stable Al-rich phase, which forms in the alloys with the same composition, decreases from cubic to orthorhombic. The results of Density Functional Theory (DFT) calculations coincide with experiments. Concepts of the Theory of Coordination Compounds and Jahn–Teller effect were used to explain the observed abrupt change of the symmetry. These considerations were supported by DFT calculations. - Highlights: • Type of transition metal influences symmetry change in the ThT{sub 2}Al{sub 20} alloys. • It was found that cubic ThT{sub 2}Al{sub 20} phase is stable for T = Ti, V and Cr. • When T = Mn, Fe–Al + orthorhombic ThT{sub 2}Al{sub 10} are formed, lowering the symmetry. • Experimental results and DFT calculations were in full agreement. • TCC and of Jahn–Teller effect were used for explanation of the results.

  3. BEP-relations for N2 dissociation over stepped transition metal and alloy surfaces

    DEFF Research Database (Denmark)

    Fronczek-Munter, Ture Rønved; Bligaard, Thomas; Christensen, Claus H.

    2008-01-01

    , a perfectly linear Bronsted-Evans-Polanyi (BEP) relation between the transition-state potential energy and the dissociative chemisorption energy is obtained. The perfect BEP relation, which extends over 12 eV in chemisorption energy, suggests that the manifestation of BEP relations for surface reactions...... is a general electronic structure effect, and that geometric effects are responsible for the scatter which is normally observed around the BEP line. The BEP relation is also shown to be valid for both surface and bulk alloys. The scatter is, however, larger than for the pure elements. This can be understood...

  4. Photoelectrochemical properties and band structure of oxide films on zirconium-transition metal alloys

    International Nuclear Information System (INIS)

    Takahashi, Kazuo; Uno, Masayoshi; Okui, Mihoko; Yamanaka, Shinsuke

    2006-01-01

    The microalloying effects of 4d and 5d transition metals, M (M: Nb, Mo, Ta, W) on the photoelectrochemical properties, the flat band potential (U fb ) and the band gap energy (E g ), for zirconium oxide films were investigated by photoelectrochemical measurements and band calculation. Button ingots of zirconium-5 mol% M (M: Nb, Mo, Ta, W) were made from high-purity metals (99.9% purity) by arc melting in a purified argon atmosphere. These plate specimens were sealed into silica tubes in vacuum, and then homogenized at 1273 K for 24 h. Subsequently, these specimens were oxidized up to 1173 K. The photocurrent of each specimen was evaluated at room temperature under the irradiation of Xe lamp (500 W) through grating monochrometer and cut-off filter. 0.1 M Na 2 SO 4 solution was used as the electrolyte. The value of the flat band potential was higher and the value of the band gap energy was smaller than that of pure zirconium oxide film in all sample. It was found from the calculation by CASTEP code that the decreases in band gap energy of these oxide films was due to formation of 4d or 5d orbital of transition metals

  5. Ductile transplutonium metal alloys

    Science.gov (United States)

    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.

  6. The effect of superconducting transition on macroscopic characteristics of metal and alloy plasticity: fundamental and application aspects

    International Nuclear Information System (INIS)

    Pustovalov, V.V.; Fomenko, V.S.

    2006-01-01

    The results of the papers concerning detection and investigation of the new effect - the changes of macroscopic properties of plastic deformation of metals and alloys at the superconducting transition - are presented. Those papers were the first to demonstrate the efficiency of electron drag of dislocations at low temperature deformation. The review is concerned with the main experimental regularities of the effect - the dependence of plasticity characteristics at the superconducting transition on stress, strain, temperature, strain rate, and doping element concentration in a superconductor. The results suggest the correlation between the effect characteristics and the superconducting properties. The experiments aimed at elucidating the mechanism of the effect are discussed. The theoretical studies into electron retardation of dislocations in metals in normal and superconducting states and the influence of superconducting transition on plasticity are briefly reported. Comparison between theoretical and experimental data is made. The review presents some examples of how the effect can be used as a new method of investigating physical mechanisms of low temperature plastic deformation. Application aspects of the phenomenon are also discussed

  7. An efficient magnetic tight-binding method for transition metals and alloys

    DEFF Research Database (Denmark)

    Barreteau, Cyrille; Spanjaard, Daniel; Desjonquères, Marie-Catherine

    2016-01-01

    that does not necessitate any further fitting is proposed to deal with systems made of several chemical elements. This model is extended to spin (and orbital) polarized materials by adding Stoner-like and spin–orbit interactions. Collinear and non-collinear magnetism as well as spin-spirals are considered......An efficient parameterized self-consistent tight-binding model for transition metals using s, p and d valence atomic orbitals as a basis set is presented. The parameters of our tight-binding model for pure elements are determined from a fit to bulk ab-initio calculations. A very simple procedure...

  8. Order-disorder phase transitions in the two-dimensional semiconducting transition metal dichalcogenide alloys Mo1−xWxX2 (X = S, Se, and Te)

    KAUST Repository

    Gan, Liyong

    2014-10-21

    A combination of density functional theory, an empirical model, and Monte Carlo simulations is used to shed light on the evolution of the atomic distribution in the two-dimensional semiconducting transition metal dichalcogenide alloys Mo1−xWxX2 (X = S, Se, and Te) as a function of the W concentration and temperature. Both random and ordered phases are discovered and the origin of the phase transitions is clarified. While the empirical model predicts at x = 1/3 and 2/3 ordered alloys, Monte Carlo simulations suggest that they only exist at low temperature due to a small energetic preference of Mo-X-W over Mo-X-Mo and W-X-W interactions, explaining the experimental observation of random alloy Mo1−xWxS2. Negative formation energies point to a high miscibility. Tunability of the band edges and band gaps by alteration of the W concentration gives rise to a broad range of applications.

  9. Order-disorder phase transitions in the two-dimensional semiconducting transition metal dichalcogenide alloys Mo1−xWxX2 (X = S, Se, and Te)

    KAUST Repository

    Gan, Liyong; Zhang, Qingyun; Zhao, Yu-Jun; Cheng, Yingchun; Schwingenschlö gl, Udo

    2014-01-01

    A combination of density functional theory, an empirical model, and Monte Carlo simulations is used to shed light on the evolution of the atomic distribution in the two-dimensional semiconducting transition metal dichalcogenide alloys Mo1−xWxX2 (X = S, Se, and Te) as a function of the W concentration and temperature. Both random and ordered phases are discovered and the origin of the phase transitions is clarified. While the empirical model predicts at x = 1/3 and 2/3 ordered alloys, Monte Carlo simulations suggest that they only exist at low temperature due to a small energetic preference of Mo-X-W over Mo-X-Mo and W-X-W interactions, explaining the experimental observation of random alloy Mo1−xWxS2. Negative formation energies point to a high miscibility. Tunability of the band edges and band gaps by alteration of the W concentration gives rise to a broad range of applications.

  10. Anisotropic phase separation through the metal-insulator transition in amorphous Mo-Ge and Fe-Ge alloys

    International Nuclear Information System (INIS)

    Regan, M.J.

    1993-12-01

    Since an amorphous solid is often defined as that which lacks long-range order, the atomic structure is typically characterized in terms of the high-degree of short-range order. Most descriptions of vapor-deposited amorphous alloys focus on characterizing this order, while assuming that the material is chemically homogeneous beyond a few near neighbors. By coupling traditional small-angle x-ray scattering which probes spatial variations of the electron density with anomalous dispersion which creates a species-specific contrast, one can discern cracks and voids from chemical inhomogeneity. In particular, one finds that the chemical inhomogeneities which have been previously reported in amorphous Fe x Ge 1-x and Mo x Ge 1-x are quite anisotropic, depending significantly on the direction of film growth. With the addition of small amounts of metal atoms (x 2 or MoGe 3 . Finally, by manipulating the deposited power flux and rates of growth, Fe x Ge 1-x films which have the same Fe composition x can be grown to different states of phase separation. These results may help explain the difficulty workers have had in isolating the metal/insulator transition for these and other vapor-deposited amorphous alloys

  11. Superconducting Metallic Glass Transition-Edge-Sensors

    Science.gov (United States)

    Hays, Charles C. (Inventor)

    2013-01-01

    A superconducting metallic glass transition-edge sensor (MGTES) and a method for fabricating the MGTES are provided. A single-layer superconducting amorphous metal alloy is deposited on a substrate. The single-layer superconducting amorphous metal alloy is an absorber for the MGTES and is electrically connected to a circuit configured for readout and biasing to sense electromagnetic radiation.

  12. Incorporation of transition metal ions and oxygen generation during anodizing of aluminium alloys

    International Nuclear Information System (INIS)

    Habazaki, H.; Konno, H.; Shimizu, K.; Nagata, S.; Skeldon, P.; Thompson, G.E.

    2004-01-01

    Enrichment of nickel at the alloy/film interface and incorporation of nickel species into the anodic film have been examined for a sputtering-deposited Al-1.2at.%Ni alloy in order to assist understanding of oxygen generation in barrier anodic alumina films. Anodizing of the alloy proceeds in two stages similarly to other dilute aluminium alloys, for example Al-Cr and Al-Cu alloys, where the Gibbs free energies per equivalent for formation of alloying element oxide exceeds the value for alumina. In the first stage, a nickel-free alumina film is formed, with nickel enriching in an alloy layer, 2 nm thick, immediately beneath the anodic oxide film. In the second stage, nickel atoms are oxidized together with aluminium, with oxygen generation forming gas bubbles within the anodic oxide film. This stage commences after accumulation of about 5.4 x 10 15 nickel atoms cm -2 in the enriched alloy layer. Oxygen generation also occurs when a thin layer of the alloy, containing about 2.0 x 10 19 nickel atoms m -2 , on electropolished aluminium, is completely anodized, contrasting with thin Al-Cr and Al-Cu alloy layers on electropolished aluminium, for which oxygen generation is essentially absent. A mechanism of oxygen generation, based on electron impurity levels of amorphous alumina and local oxide compositions, is discussed in order to explain the observations

  13. Evidence for reentrant spin glass behavior in transition metal substituted Co-Ga alloys near critical concentration

    Science.gov (United States)

    Yasin, Sk. Mohammad; Srinivas, V.; Kasiviswanathan, S.; Vagadia, Megha; Nigam, A. K.

    2018-04-01

    In the present study magnetic and electrical transport properties of transition metal substituted Co-Ga alloys (near critical cobalt concentration) have been investigated. Analysis of temperature and field dependence of dc magnetization and ac susceptibility (ACS) data suggests an evidence of reentrant spin glass (RSG) phase in Co55.5TM3Ga41.5 (TM = Co, Cr, Fe, Cu). The magnetic transition temperatures (TC and Tf) are found to depend on the nature of TM element substitution with the exchange coupling strength Co-Fe > Co-Co > Co-Cu > Co-Cr. From magnetization dynamics precise transition temperatures for the glassy phases are estimated. It is found that characteristic relaxation times are higher than that of spin glasses with minimal spin-cluster formation. The RSG behavior has been further supported by the temperature dependence of magnetotransport studies. From the magnetic field and substitution effects it has been established that the magnetic and electrical transport properties are correlated in this system.

  14. Effects of configurational changes on electrical resistivity during glass-liquid transition of two bulk metal-alloy glasses

    Energy Technology Data Exchange (ETDEWEB)

    Aji, D. P. B.; Johari, G. P., E-mail: joharig@mcmaster.ca [Department of Materials Science and Engineering, McMaster University, Hamilton, Ontario L8S 4L7 (Canada)

    2014-12-14

    Consequences of increase in structural fluctuations on heating Pd{sub 40}Ni{sub 10}Cu{sub 30}P{sub 20} and Zr{sub 46.75}Ti{sub 8.25}Cu{sub 7.5}Ni{sub 10}Be{sub 27.5} through their glass to liquid transition range were investigated by measuring the electrical resistivity, ρ, an electron scattering property. The temperature coefficient of resistivity (TCR = (1/ρ) dρ/dT) of the liquid and glassy states is negative. The plots of their ρ against T in the T{sub g} (glass to liquid transition) range show a gradual change in the slope similar to the change observed generally for the plots of the density, elastic modulus, and refractive index. As fluctuations in the melt structure involve fewer configurations on cooling, ρ increases. In the energy landscape description, the melt's structure explores fewer minima with decrease in T, vibrational frequencies increase, and electron scattering and ρ increase. Plots of (−dρ/dT) against T resemble the plot of the specific heat of other glasses and show a sub-T{sub g} feature and a rapid rise at T near T{sub g}. Analysis shows that the magnitude of negative TCR is dominated by change in the phonon characteristics, and configurational fluctuations make it more negative. The TCR of the liquid and glassy states seems qualitatively consistent with the variation in the structure factor in Ziman's model for pure liquid metals as extended by Nagel to metal alloys and used to explain the negative TCR of a two-component metal glass.

  15. Corrosion resistance and microstructure characterization of rare-earth-transition metal-aluminum-magnesium alloys

    International Nuclear Information System (INIS)

    Banczek, E.P.; Zarpelon, L.M.C.; Faria, R.N.; Costa, I.

    2009-01-01

    This paper reports the results of investigation carried out to evaluate the corrosion resistance and microstructure of some cast alloys represented by the general formula: La 0.7-x Pr x Mg 0.3 Al 0.3 Mn 0.4 Co 0.5 Ni 3.8 (x = 0, 0.1, 0.3, 0.5, and 0.7). Scanning electron microscopy (SEM) and electrochemical methods, specifically, polarization curves and electrochemical impedance spectroscopy (EIS), have been employed in this study. The effects of Pr substitution on the composition of the various phases in the alloys and their corrosion resistance have been studied. The electrochemical results showed that the alloy without Pr and the one with total La substitution showed the highest corrosion resistance among the studied alloys. The corrosion resistance of the alloys decreased when Pr was present in the lowest concentrations (0.1 and 0.3), but for higher Pr concentrations (0.5 and 0.7), the corrosion resistance increased. Corrosion occurred preferentially in a Mg-rich phase.

  16. Interaction between extended and localized electronic states in the region of the metal to insulator transition in semiconductor alloys

    Energy Technology Data Exchange (ETDEWEB)

    Teubert, Joerg

    2008-07-01

    The first part of this work addresses the influence of those isovalent localized states on the electronic properties of (B,Ga,In)As. Most valuable were the measurements under hydrostatic pressure that revealed a pressure induced metal-insulator transition. One of the main ideas in this context is the trapping of carriers in localized B-related cluster states that appear in the bandgap at high pressure. The key conclusion that can be drawn from the experimental results is that boron atoms seem to have the character of isovalent electron traps, rendering boron as the first known isovalent trap induced by cationic substitution. In the second part, thermoelectric properties of (B,Ga,In)As and (Ga,In)(N,As) are studied. It was found that although the electric-field driven electronic transport in n-type (Ga,In)(N,As) and (B,Ga,In)As differs considerably from that of n-type GaAs, the temperature-gradient driven electronic transport is very similar for the three semiconductors, despite distinct differences in the conduction band structure of (Ga,In)(N,As) and (B,Ga,In)As compared to GaAs. The third part addresses the influence of magnetic interactions on the transport properties near the metal-insulator transition (MIT). Here, two scenarios are considered: Firstly the focus is set on ZnMnSe:Cl, a representative of so called dilute magnetic semiconductors (DMS). In this material Mn(2+) ions provide a large magnetic moment due to their half filled inner 3d-shell. It is shown that magnetic interactions in conjunction with disorder effects are responsible for the unusual magnetotransport behavior found in this and other II-Mn-VI semiconductor alloys. In the second scenario, a different magnetic compound, namely InSb:Mn, is of interest. It is a representative of the III-Mn-V DMS, where the magnetic impurity Mn serves both as the source of a large localized magnetic moment and as the source of a loosely bound hole due to its acceptor character. Up to now, little is known about

  17. Interaction between extended and localized electronic states in the region of the metal to insulator transition in semiconductor alloys

    International Nuclear Information System (INIS)

    Teubert, Joerg

    2008-01-01

    The first part of this work addresses the influence of those isovalent localized states on the electronic properties of (B,Ga,In)As. Most valuable were the measurements under hydrostatic pressure that revealed a pressure induced metal-insulator transition. One of the main ideas in this context is the trapping of carriers in localized B-related cluster states that appear in the bandgap at high pressure. The key conclusion that can be drawn from the experimental results is that boron atoms seem to have the character of isovalent electron traps, rendering boron as the first known isovalent trap induced by cationic substitution. In the second part, thermoelectric properties of (B,Ga,In)As and (Ga,In)(N,As) are studied. It was found that although the electric-field driven electronic transport in n-type (Ga,In)(N,As) and (B,Ga,In)As differs considerably from that of n-type GaAs, the temperature-gradient driven electronic transport is very similar for the three semiconductors, despite distinct differences in the conduction band structure of (Ga,In)(N,As) and (B,Ga,In)As compared to GaAs. The third part addresses the influence of magnetic interactions on the transport properties near the metal-insulator transition (MIT). Here, two scenarios are considered: Firstly the focus is set on ZnMnSe:Cl, a representative of so called dilute magnetic semiconductors (DMS). In this material Mn(2+) ions provide a large magnetic moment due to their half filled inner 3d-shell. It is shown that magnetic interactions in conjunction with disorder effects are responsible for the unusual magnetotransport behavior found in this and other II-Mn-VI semiconductor alloys. In the second scenario, a different magnetic compound, namely InSb:Mn, is of interest. It is a representative of the III-Mn-V DMS, where the magnetic impurity Mn serves both as the source of a large localized magnetic moment and as the source of a loosely bound hole due to its acceptor character. Up to now, little is known about

  18. The effect of high-temperature treatment on the formation of nanoscale intermetallic compounds of transition metals in Al-Cu-Mn-Zr alloy

    Science.gov (United States)

    Monastyrska, Tetiana O.; Berezina, Alla L.; Labur, Tetiana M.; Molebny, Oleh A.; Kotko, Andrii V.

    2018-02-01

    The precipitation of intermetallic compounds of transition metals during aging of the Al-5.8%Cu-0.3%Mn-0.1%Zr alloy has been studied using DSC, resistometry, X-ray and transmission electron microscopy. In these age hardenable alloys, the nanoscale metastable Θ″ and Θ' phases of the Al2Cu compound are the main strengthening phases, which are formed at low temperature aging of T stresses, etc.) on the aging with the precipitation of strengthening phases has been investigated.

  19. Nature of low dimensional structural modulations and relative phase stability in RexMo(W)1-xS2 transition metal dichalcogenide alloys

    KAUST Repository

    Sahu, R.

    2017-03-08

    We report on the various types of Peierls like two dimensional structural modulations and relative phase stability of 2H and 1T poly-types in the RexMo1-xS2 and RexW1-xS2 alloy system. Theoretical calculation predicts a polytype phase transition cross over at ∼50 at. % of Mo and W in ReS2 in both monolayer and bulk form, respectively. Experimentally, two different types of structural modulations at 50% and a modulation corresponding to trimerization at 75% alloy composition are observed for RexMo1-xS2 and only one type of modulation is observed at the 50% RexW1-xS2 alloy system. The 50% alloy system is found to be a suitable monolithic candidate for metal semiconductor transition with minute external perturbation. ReS2 is known to be in the 2D Peierls distorted 1Td structure and forms a chain like superstructure. Incorporation of Mo and W atoms into the ReS2 lattice modifies the metal-metal hybridization between the cations and influences the structural modulation and electronic properties of the system. The results offer yet another effective way to tune the electronic structure and poly-type phases of this class of materials other than intercalation, strain, and vertical stacking arrangement.

  20. Semiconductor-metal transitions in liquid In100-xSex alloys: A concentration-induced transition

    International Nuclear Information System (INIS)

    Ferlat, G.; San Miguel, A.; Xu, H.; Aouizerat, A.; Blase, X.; Zuniga, J.; Munoz-Sanjose, V.

    2004-01-01

    The electronic and structural properties of In 100-x Se x liquid alloys close to their melting points have been investigated by combining x-ray-absorption experiments with ab initio molecular-dynamics simulations. Extended x-ray-absorption fine-structure data have been acquired at both the In and Se K edges in a large concentration range (x=20% to x=50% of Se content). Ab initio molecular-dynamics simulations have been carried out at the two most extreme concentrations explored experimentally. Liquid InSe is found to retain a semiconducting behavior which results from a low-dimensional structure, reminiscent of that of the ambient solid phase, characterized by strong In-Se interactions within tetrahedral units. On the other side, the In 80 Se 20 liquid alloy shows a metalliclike behavior which is correlated to a more dense-packed structure

  1. Pressure dependence of the magnetic properties of various weakly ferromagnetic transition metal alloys

    International Nuclear Information System (INIS)

    Buis, N.

    1979-01-01

    A large number of experimental results are summarized obtained in an apparatus designed for the measurement of magnetization under high pressures (up to 5k bar gas pressure), at temperatures from 4.2K to room temperature and in magnetic fields up to 5.1 T. Two alloy systems studied were Zr (Fesub(1-x)Cosub(x)) 2 and Y(Fesub(x)Cosub(1-x)) 2 and no consistent picture could be deduced from the large pressure effects on the magnetization. Apparently, one cannot apply the model for weak itinerant ferromagnetism on Zr(Fesub(1-x)Cosub(x)) 2 or a simple giant moment model on Y(Fesub(x)Cosub(1-x)) 2 with small iron content, because the magnetic behaviour of both systems is too complicated. (C.F.)

  2. Metastable Transition Metal Alloys Produced by Rapid Quenching: Structure and Properties.

    Science.gov (United States)

    1984-01-01

    cobalt or nickel continuous ribbons 1 . 2 mm wide and about fromthe angaeseiro, coalt r nikel 30 jum thick. Differential scanning calori- groups or B metal... wire , obtained from the International Nb1Pd,:’o NbPds 70 "藿 (MoPtaI- NbPt, I structure Nickel Co., and palladium powder (-325 mesh) ob- tained from...This is consistent with the work of Black S(k) denote that of a 99.999+% pure lead wire using the integral et l.i who predict that the tunneling-level

  3. Rare earth metal alloy magnets

    International Nuclear Information System (INIS)

    Harris, I.R.; Evans, J.M.; Nyholm, P.S.

    1979-01-01

    This invention relates to rare earth metal alloy magnets and to methods for their production. The technique is based on the fact that rare earth metal alloys (for e.g. cerium or yttrium) which have been crumbled to form a powder by hydride formation and decomposition can be used for the fabrication of magnets without the disadvantages inherent in alloy particle size reduction by mechanical milling. (UK)

  4. Bcc and Fcc transition metals and alloys: a central role for the Jahn-Teller effect in explaining their ideal and distorted structures.

    Science.gov (United States)

    Lee, Stephen; Hoffmann, Roald

    2002-05-01

    Transition metal elements, alloys, and intermetallic compounds often adopt the body centered cubic (bcc) and face centered cubic (fcc) structures. By comparing quantitative density functional with qualitative tight-binding calculations, we analyze the electronic factors which make the bcc and fcc structures energetically favorable. To do so, we develop a tight-binding function, DeltaE(star), a function that measures the energetic effects of transferring electrons within wave vector stars. This function allows one to connect distortions in solids to the Jahn-Teller effect in molecules and to provide an orbital perspective on structure determining deformations in alloys. We illustrate its use by considering first a two-dimensional square net. We then turn to three-dimensional fcc and bcc structures, and distortions of these. Using DeltaE(star), we rationalize the differences in energy of these structures. We are able to deduce which orbitals are responsible for instabilities in seven to nine valence electron per atom (e(-)/a) bcc systems and five and six e(-)/a fcc structures. Finally we demonstrate that these results account for the bcc and fcc type structures found in both the elements and binary intermetallic compounds of group 4 through 9 transition metal atoms. The outline of a theory of metal structure deformations based on loss of point group operation rather than translational symmetry is presented.

  5. Determination of trace impurities in uranium-transition metal alloy fuels by ICP-MS using extended common analyte internal standardization (ECAIS) technique

    International Nuclear Information System (INIS)

    Saha, Abhijit; Deb, S.B.; Nagar, B.K.; Saxena, M.K.

    2015-01-01

    An analytical methodology was developed for the determination of eight trace impurities viz, Al, B, Cd, Co, Cu, Mg, Mn and Ni in three different uranium-transition metal alloy fuels (U-Me; Me = Ti, Zr and Mo) employing inductively coupled plasma mass spectrometry (ICP-MS). The well known common analyte internal standardization (CAIS) chemometric technique was modified and then employed to minimize and account for the matrix effect on analyte intensity. Standard addition of analytes to the pure synthetic U-Me sample solutions and subsequently their ≥ 94% recovery by the ICP-MS measurement validates the proposed methodology. One real sample of each of these alloys was analyzed by the developed analytical methodology and the %RSD observed was in the range of 5-8%. The method detection limits were found to be within 4-10 μg L -1 . (author)

  6. Oligocyclopentadienyl transition metal complexes

    Energy Technology Data Exchange (ETDEWEB)

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

    2002-01-18

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

  7. Metal-insulator transitions

    Science.gov (United States)

    Imada, Masatoshi; Fujimori, Atsushi; Tokura, Yoshinori

    1998-10-01

    Metal-insulator transitions are accompanied by huge resistivity changes, even over tens of orders of magnitude, and are widely observed in condensed-matter systems. This article presents the observations and current understanding of the metal-insulator transition with a pedagogical introduction to the subject. Especially important are the transitions driven by correlation effects associated with the electron-electron interaction. The insulating phase caused by the correlation effects is categorized as the Mott Insulator. Near the transition point the metallic state shows fluctuations and orderings in the spin, charge, and orbital degrees of freedom. The properties of these metals are frequently quite different from those of ordinary metals, as measured by transport, optical, and magnetic probes. The review first describes theoretical approaches to the unusual metallic states and to the metal-insulator transition. The Fermi-liquid theory treats the correlations that can be adiabatically connected with the noninteracting picture. Strong-coupling models that do not require Fermi-liquid behavior have also been developed. Much work has also been done on the scaling theory of the transition. A central issue for this review is the evaluation of these approaches in simple theoretical systems such as the Hubbard model and t-J models. Another key issue is strong competition among various orderings as in the interplay of spin and orbital fluctuations. Experimentally, the unusual properties of the metallic state near the insulating transition have been most extensively studied in d-electron systems. In particular, there is revived interest in transition-metal oxides, motivated by the epoch-making findings of high-temperature superconductivity in cuprates and colossal magnetoresistance in manganites. The article reviews the rich phenomena of anomalous metallicity, taking as examples Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Ru compounds. The diverse phenomena include strong spin and

  8. Magneto-optical measurement of anisotropy energy constant(s) for amorphous rare earth, transition metal alloys

    International Nuclear Information System (INIS)

    Uber, R.E.; Mansuripur, M.

    1988-01-01

    Optical investigation of magneto-optical films is complementary to conventional torque and VSM magnetometry. In the authors' laboratory, they are now measuring anisotropy energy constants of RE-TM thin films at temperatures from ambient to 150 0 C. An in-plane magnetic field (up to 16.5 KOe) is applied to a saturated sample with perpendicular magnetization. The movement away from the perpendicular direction is monitored using the polar Kerr effect. At the HeNe wavelength, the Kerr effect is principally due to the top 500 angstroms of the transition metal subnetwork in the films

  9. Superconductivity in transition metals.

    Science.gov (United States)

    Slocombe, Daniel R; Kuznetsov, Vladimir L; Grochala, Wojciech; Williams, Robert J P; Edwards, Peter P

    2015-03-13

    A qualitative account of the occurrence and magnitude of superconductivity in the transition metals is presented, with a primary emphasis on elements of the first row. Correlations of the important parameters of the Bardeen-Cooper-Schrieffer theory of superconductivity are highlighted with respect to the number of d-shell electrons per atom of the transition elements. The relation between the systematics of superconductivity in the transition metals and the periodic table high-lights the importance of short-range or chemical bonding on the remarkable natural phenomenon of superconductivity in the chemical elements. A relationship between superconductivity and lattice instability appears naturally as a balance and competition between localized covalent bonding and so-called broken covalency, which favours d-electron delocalization and superconductivity. In this manner, the systematics of superconductivity and various other physical properties of the transition elements are related and unified. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

  10. The solubility of metals in Pb-17Li liquid alloy

    International Nuclear Information System (INIS)

    Borgstedt, H.U.; Feuerstein, H.

    1992-01-01

    The solubility data of iron in the eutectic alloy Pb-17Li which were evaluated from corrosion tests in a turbulent flow of the molten alloy are discussed in the frame of solubilities of the transition metals in liquid lead. It is shown that the solubility of iron in the alloy is close to that in lead. This is also the fact for several other alloying elements of steels. A comparison of all known data shows that they are in agreement with generally shown trends for the solubility of the transition metals in low melting metals. These trends indicate comparably high solubilities of nickel and manganese in the liquid metals, lower saturation concentration of vanadium, chromium, iron, and cobalt, and extremely low solubility of molybdenum. (orig.)

  11. Glass-forming ability and stability of ternary Ni-early transition metal (Ti/Zr/Hf) alloys

    Energy Technology Data Exchange (ETDEWEB)

    Basu, Joysurya [Department of Metallurgy, Indian Institute of Science, Bangalore 560 012 (India); Ranganathan, S. [Department of Metallurgy, Indian Institute of Science, Bangalore 560 012 (India)]. E-mail: rangu@met.iisc.ernet.in

    2006-08-15

    Four Ni-bearing Ti, Zr and Hf ternary alloys of nominal composition Zr{sub 41.5}Ti{sub 41.5}Ni{sub 17}, Zr{sub 25}Ti{sub 25}Ni{sub 50}, Zr{sub 41.5}Hf{sub 41.5}Ni{sub 17} and Ti{sub 41.5}Hf{sub 41.5}Ni{sub 17} were rapidly solidified in order to produce ribbons. The Zr-Ti-Ni and Ti-Hf-Ni alloys become amorphous, whereas the Zr-Hf-Ni alloy shows precipitation of a cubic phase. The devitrification of all three alloys was followed and the relative tendency to form nanoquasicrystals and cF96 phases analysed. The relative glass-forming ability of the alloys can be explained by taking into account their atomic size difference. Addition of Ni often leads to quasicrystallisation or quasicrystal-related phases. This can be explained by the atomic radius and heat of mixing of the constituent elements. The phases precipitated at the initial stages of crystallisation indicate the possible presence of Frank-Kasper polyhedral structure in the amorphous alloys. Structural analysis reveals that the Laves and the anti-Laves phases have the same polyhedral structural unit, which is similar to the structural characteristics of glass.

  12. Photoabsorption coefficient of alloys at Al with transition metals V, Fe, Ni and with Cu and Pr from 30 eV to 150 eV photon energy

    International Nuclear Information System (INIS)

    Hagemann, H.J.; Gudat, W.; Kunz, C.

    1975-10-01

    The absorption coeffecient of VAl 3 , FeAl, NiAl, NiAl 3 , CuAl 2 , PrAl 2 and of disordered V-Al (16 at. % Al, 28 %, 41%) and Fe-Al (11%) alloys has been measured in the region of the Msub(2,3)-absorption of the transition metals and the L-absorption of Al. The strong changes of the Al spectrum in the region of the 100 eV maximum upon alloying are explained as another evidence of the EXAFS (extended X-ray absorption fine structure) nature of these structures. The broad, prominent absorption peaks from the 3p excitations in V and Fe and from the 4d excitations in Pr are influenced only little on alloying and thus appear to be of atomic origin. The fine structure at the onset of the Pr 4d-transitions is identical in the metal and the alloy but differs from that of Pr oxide. The only Msub(2,3)-edge which is detectably shifted is that if Ni (up to 2.1 eV), whereas the onset of the Al Lsub(2,3)-edge is shifted in all the alloys (up to 1.1 eV). The shifts are interpreted in accordance with X-ray fluorescence and nuclear resonance measurements as changes of the density of states in the valence band of the alloys. (orig.) [de

  13. Obtained of magnetic alloys at base of rare earths-transition metals (4f/3d) by calciothermal reduction

    International Nuclear Information System (INIS)

    Paschoal, J.O.A.; Lima, L.F.C.P. de; Faria Junior, R.N.; Monzani, D.; Takiishi, H.; Caldas, S.H.R.; Gulherme, E.G.; Carvalho, P.A.; Acevedo, M.T.

    1989-01-01

    The phases of preparation of powder of the alloys Sm-Co and Nd-Fe-B are studied. These phases were developed and optimized like part of the permanent magnet program of the Energetic and Nuclear Research Institute (IPEN), in Brazil, that has the objective of obtain magnets of high product of energy (BxH). (V.R.B.)

  14. Design of multi materials combining crystalline and amorphous metallic alloys

    International Nuclear Information System (INIS)

    Volland, A.; Ragani, J.; Liu, Y.; Gravier, S.; Suéry, M.; Blandin, J.J.

    2012-01-01

    Highlights: ► Elaboration of multi materials associating metallic glasses and conventional crystalline alloys by co-deformation performed at temperatures close to the glass transition temperature of the metallic glasses. ► Elaboration of filamentary metal matrix composites with a core in metallic glass by co extrusion. ► Sandwich structures produced by co-pressing. ► Detection of atomic diffusion from the glass to the crystalline alloys during the processes. ► Good interfaces between the metallic glasses and the crystalline alloys, as confirmed by mechanical characterisation. - Abstract: Multi materials, associating zirconium based bulk metallic glasses and crystalline metallic alloys like magnesium alloys or copper are elaborated by co-deformation processing performed in the supercooled liquid regions (SLR) of the bulk metallic glasses. Two processes are investigated: co-extrusion and co-pressing. In the first case, filamentary composites with various designs can be produced whereas in the second case sandwich structures are obtained. The experimental window (temperature, time) in which processing can be carried out is directly related to the crystallisation resistance of the glass which requires getting information about the crystallisation conditions in the selected metallic glasses. Thermoforming windows are identified for the studied BMGs by thermal analysis and compression tests in their SLR. The mechanical properties of the produced multi materials are investigated thanks to specifically developed mechanical devices and the interfaces between the amorphous and the crystalline alloys are characterised.

  15. Vacancies in transition metals

    International Nuclear Information System (INIS)

    Allan, G.; Lannoo, M.

    1976-01-01

    A calculation of the formation energy and volume for a vacancy in transition metals is described. A tight-binding scheme is used for the d band and a Born-Mayer type potential to account for the repulsive part of the energy at small distances. The results show that the relaxation energy is small in all cases, less than 0.1 eV. This seems to be coherent with the good agreement obtained for the theoretical and experimental values of the formation energy Esub(F)sup(V) of the vacancy, without including relaxation. The center of the transitional series is found to give a contraction (Formation volume of order -0.4 at.vol.) whereas the edges are found to produce dilations. (author)

  16. Filler metal alloy for welding cast nickel aluminide alloys

    Science.gov (United States)

    Santella, M.L.; Sikka, V.K.

    1998-03-10

    A filler metal alloy used as a filler for welding cast nickel aluminide alloys contains from about 15 to about 17 wt. % chromium, from about 4 to about 5 wt. % aluminum, equal to or less than about 1.5 wt. % molybdenum, from about 1 to about 4.5 wt. % zirconium, equal to or less than about 0.01 wt. % yttrium, equal to or less than about 0.01 wt. % boron and the balance nickel. The filler metal alloy is made by melting and casting techniques such as are melting the components of the filler metal alloy and cast in copper chill molds. 3 figs.

  17. Proceedings of the sixth international workshop on rare earth-cobalt permanent magnets and their applications, August 31 - September 2, 1982, and third international symposium on magnetic anisotropy and coercivity in rare earth-transition metal alloys, September 3, 1982

    International Nuclear Information System (INIS)

    Fidler, J.

    1982-01-01

    The first part (workshop) is concerned specifically with applications of rare earth-cobalt permanent magnets. The session headings are 1) electro-mechanical applications 2) electronic and miscellaneous applications 3) magneto-mechanical applications plus workshop on measurement methods 4) new materials and processes 5) industrial applications of REPM and future aspects. The second part (symposium) is concerned with physical properties of specific rare earth-transition metal alloys. (G.Q.)

  18. Nature of low dimensional structural modulations and relative phase stability in RexMo(W)1-xS2 transition metal dichalcogenide alloys

    KAUST Repository

    Sahu, R.; Bhat, U.; Batra, Nitin M; Sharona, H.; Vishal, B.; Sarkar, S.; Devi, Assa Aravindh Sasikala; Peter, S. C.; Roqan, Iman S.; Costa , P. M. F. J.; Datta, Ranjan

    2017-01-01

    We report on the various types of Peierls like two dimensional structural modulations and relative phase stability of 2H and 1T poly-types in the RexMo1-xS2 and RexW1-xS2 alloy system. Theoretical calculation predicts a polytype phase transition

  19. Liquid metal corrosion considerations in alloy development

    International Nuclear Information System (INIS)

    Tortorelli, P.F.; DeVan, J.H.

    1984-01-01

    Liquid metal corrosion can be an important consideration in developing alloys for fusion and fast breeder reactors and other applications. Because of the many different forms of liquid metal corrosion (dissolution, alloying, carbon transfer, etc.), alloy optimization based on corrosion resistance depends on a number of factors such as the application temperatures, the particular liquid metal, and the level and nature of impurities in the liquid and solid metals. The present paper reviews the various forms of corrosion by lithium, lead, and sodium and indicates how such corrosion reactions can influence the alloy development process

  20. Transition metals in carbohydrate chemistry

    DEFF Research Database (Denmark)

    Madsen, Robert

    1997-01-01

    This review describes the application of transition metal mediated reactions in carbohydrate synthesis. The different metal mediated transformations are divided into reaction types and illustrated by various examples on monosaccharide derivatives. Carbon-carbon bond forming reactions are further ...

  1. Strong-Superstrong Transition in Glass Transition of Metallic Glass

    International Nuclear Information System (INIS)

    Dan, Wang; Hong-Yan, Peng; Xiao-Yu, Xu; Bao-Ling, Chen; Chun-Lei, Wu; Min-Hua, Sun

    2010-01-01

    Dynamic fragility of bulk metallic glass (BMG) of Zr 64 Cu 16 Ni 10 Al 10 alloy is studied by three-point beam bending methods. The fragility parameter mfor Zr 64 Cu 16 Ni 10 Al 10 BMG is calculated to be 24.5 at high temperature, which means that the liquid is a 'strong' liquid, while to be 13.4 at low temperature which means that the liquid is a 'super-strong' liquid. The dynamical behavior of Zr 64 Cu 16 Ni 10 Al 10 BMG in the supercooled region undergoes a strong to super-strong transition. To our knowledge, it is the first time that a strong-to-superstrong transition is found in the metallic glass. Using small angle x-ray scattering experiments, we find that this transition is assumed to be related to a phase separation process in supercooled liquid. (condensed matter: structure, mechanical and thermal properties)

  2. An introduction to surface alloying of metals

    CERN Document Server

    Hosmani, Santosh S; Goyal, Rajendra Kumar

    2014-01-01

    An Introduction to Surface Alloying of Metals aims to serve as a primer to the basic aspects of surface alloying of metals. The book serves to elucidate fundamentals of surface modification and their engineering applications. The book starts with basics of surface alloying and goes on to cover key surface alloying methods, such as carburizing, nitriding, chromizing, duplex treatment, and the characterization of surface layers. The book will prove useful to students at both the undergraduate and graduate levels, as also to researchers and practitioners looking for a quick introduction to surface alloying.

  3. Structural and electronic properties of binary amorphous aluminum alloys with transition metals and rare earth metals; Strukturelle und elektronische Eigenschaften binaerer amorpher Aluminiumlegierungen mit Uebergangsmetallen und Metallen der Seltenen Erden

    Energy Technology Data Exchange (ETDEWEB)

    Stiehler, Martin

    2012-02-03

    The influence of the d-states of the transition metals on the structure formation in amorphous alloys has so far only been inadequately understood. The present work aims to elaborate additional contributions to the understanding of binary amorphous aluminum alloys with transition metals. Special emphasis was placed on alloys with a subgroup of the transition metals, the rare earth metals. Within the scope of the present work, layers of Al-Ce in the region of 15at% Ce-80at% Ce were produced by sequential flash evaporation at 4.2K in the high vacuum, and characterized electronically by electrical resistance and Hall effect measurements as well as structurally by transmission electron diffraction. In addition, studies of plasma resonance were carried out by means of electron energy loss spectroscopy. In the range of 25at% Ce-60at% Ce, homogeneous amorphous samples were obtained. Especially the structural investigations were made difficult by oxidation of the material. The influence of the Ce-4f electrons manifests itself mainly in the low-temperature and magnetoresistance, both of which are dominated by the Kondo effect. The Hall effect in Al-Ce is dominated by anomalous components over the entire temperature range (2K-320K), which are attributed to skew-scattering effects, also due to Ce-4f electrons. Down to 2K there was no macroscopic magnetic order. In the region 2K-20K, the existence of clusters of ordered magnetic moments is concluded. For T> 20K, paramagnetic behavior occurs. With regard to the structural and electronic properties, a-Al-Ce can be classified as a group with a-Al- (Sc, Y, La). In the sense of plasma resonance, a-Al-Ce is excellently arranged in a system known from other Al transition metal alloys. Furthermore, by increasing the results of binary amorphous Al transition metal alloys from the literature, it has been found that the structure formation in these systems is closely linked to a known but still unexplained structure-forming effect that

  4. Electrical Conductivity in Transition Metals

    Science.gov (United States)

    Talbot, Christopher; Vickneson, Kishanda

    2013-01-01

    The aim of this "Science Note" is to describe how to test the electron-sea model to determine whether it accurately predicts relative electrical conductivity for first-row transition metals. In the electron-sea model, a metal crystal is viewed as a three-dimensional array of metal cations immersed in a sea of delocalised valence…

  5. Electronic structure of metallic alloys through Auger and photoemission spectroscopy

    International Nuclear Information System (INIS)

    Kleiman, G.G.; Rogers, J.D.; Sundaram, V.S.

    1981-01-01

    A review is presented of experimental results of electron spectroscopy studies for various series of transition metal alloys as well as a model for their interpretation which leads to the possibility for the first time to determine independently relative variations in the dipole barrier and Fermi energy contributions to the work function. (L.C.) [pt

  6. Development of Metallic Sensory Alloys

    Science.gov (United States)

    Wallace Terryl A.; Newman, John A.; Horne, Michael R.; Messick, Peter L.

    2010-01-01

    Existing nondestructive evaluation (NDE) technologies are inherently limited by the physical response of the structural material being inspected and are therefore not generally effective at the identification of small discontinuities, making the detection of incipient damage extremely difficult. One innovative solution to this problem is to enhance or complement the NDE signature of structural materials to dramatically improve the ability of existing NDE tools to detect damage. To address this need, a multifunctional metallic material has been developed that can be used in structural applications. The material is processed to contain second phase sensory particles that significantly improve the NDE response, enhancing the ability of conventional NDE techniques to detect incipient damage both during and after flight. Ferromagnetic shape-memory alloys (FSMAs) are an ideal material for these sensory particles as they undergo a uniform and repeatable change in both magnetic properties and crystallographic structure (martensitic transformation) when subjected to strain and/or temperature changes which can be detected using conventional NDE techniques. In this study, the use of a ferromagnetic shape memory alloy (FSMA) as the sensory particles was investigated.

  7. Vibrational entropies in metallic alloys

    Science.gov (United States)

    Ozolins, Vidvuds; Asta, Mark; Wolverton, Christopher

    2000-03-01

    Recently, it has been recognized that vibrational entropy can have significant effects on the phase stability of metallic alloys. Using density functional linear response calculations and molecular dynamics simulations we study three representative cases: (i) phase diagram of Al-rich Al-Sc alloys, (ii) stability of precipitate phases in CuAl_2, and (iii) phonon dynamics in bcc Zr. We find large vibrational entropy effects in all cases. In the Al-Sc system, vibrations increase the solid solubility of Sc in Al by decreasing the stability of the L12 (Al_3Sc) phase. This leads to a nearly ten-fold increase in the solid solubility of Sc in Al at T=800 K. In the Cu-Al system, our calculations predict that the tetragonal Laves phase of CuAl2 has 0.35 kB/atom higher vibrational entropy than the cubic CaF_2-type phase (the latter is predicted to be the T=0 K ground state of CuAl_2). This entropy difference causes a structural transformation in CuAl2 precipitates from the fluorite to the tetragonal Laves phase around T=500 K. Finally, we analyze the highly unusual dynamics of anharmonically stabilized bcc Zr, finding large diffuse-scattering intensity streaks between the bcc Bragg peaks.

  8. Selenophene transition metal complexes

    Energy Technology Data Exchange (ETDEWEB)

    White, Carter James [Iowa State Univ., Ames, IA (United States)

    1994-07-27

    This research shows that selenophene transition metal complexes have a chemistry that is similar to their thiophene analogs. Selenophene coordination has been demonstrated and confirmed by molecular structure in both the η5- and the η1(Se)-coordination modes. The reaction chemistry of selenophene complexes closely resembles that of the analogous thiophene complexes. One major difference, however, is that selenophene is a better donor ligand than thiophene making the selenophene complexes more stable than the corresponding thiophene complexes. The 77Se NMR chemical shift values for selenophene complexes fall within distinct regions primarily depending on the coordination mode of the selenophene ligand. In the final paper, the C-H bond activation of η1(S)-bound thiophenes, η1(S)-benzothiophene and η1(Se)-bound selenophenes has been demonstrated. The deprotonation and rearrangement of the η1(E)-bound ligand to the carbon bound L-yl complex readily occurs in the presence of base. Reprotonation with a strong acid gives a carbene complex that is unreactive towards nucleophilic attack at the carbene carbon and is stable towards exposure to air. The molecular structure of [Cp(NO)(PPh3)Re(2-benzothioenylcarbene)]O3SCF3 was determined and contains a Re-C bond with substantial double bond character. Methyl substitution for the thienylcarbene or selenylcarbene gives a carbene that rearranges thermally to give back the η1(E)-bound complex. Based on these model reactions, a new mechanism for the H/D exchange of thiophene over the hydrodesulfurization catalyst has been proposed.

  9. Properties of cemented carbides alloyed by metal melt treatment

    International Nuclear Information System (INIS)

    Lisovsky, A.F.

    2001-01-01

    The paper presents the results of investigations into the influence of alloying elements introduced by metal melt treatment (MMT-process) on properties of WC-Co and WC-Ni cemented carbides. Transition metals of the IV - VIll groups (Ti, Zr, Ta, Cr, Re, Ni) and silicon were used as alloying elements. It is shown that the MMT-process allows cemented carbides to be produced whose physico-mechanical properties (bending strength, fracture toughness, total deformation, total work of deformation and fatigue fracture toughness) are superior to those of cemented carbides produced following a traditional powder metallurgy (PM) process. The main mechanism and peculiarities of the influence of alloying elements added by the MMT-process on properties of cemented carbides have been first established. The effect of alloying elements on structure and substructure of phases has been analyzed. (author)

  10. Metal-insulator transition in vanadium dioxide

    International Nuclear Information System (INIS)

    Zylbersztejn, A.; Mott, N.F.

    1975-01-01

    The basic physical parameters which govern the metal-insulator transition in vanadium dioxide are determined through a review of the properties of this material. The major importance of the Hubbard intra-atomic correlation energy in determining the insulating phase, which was already evidence by studies of the magnetic properties of V 1 -/subx/Cr/subx/O 2 alloys, is further demonstrated from an analysis of their electrical properties. An analysis of the magnetic susceptibility of niobium-doped VO 2 yields a picture for the current carrier in the low-temperature phase in which it is accompanied by a spin cloud (owing to Hund's-rule coupling), and has therefore an enhanced mass (m approx. = 60m 0 ). Semiconducting vanadium dioxide turns out to be a borderline case for a classical band-transport description; in the alloys at high doping levels, Anderson localization with hopping transport can take place. Whereas it is shown that the insulating phase cannot be described correctly without taking into account the Hubbard correlation energy, we find that the properties of the metallic phase are mainly determined by the band structure. Metallic VO 2 is, in our view, similar to transition metals like Pt or Pd: electrons in a comparatively wide band screening out the interaction between the electrons in a narrow overlapping band. The magnetic susceptibility is described as exchange enhanced. The large density of states at the Fermi level yields a substantial contribution of the entropy of the metallic electrons to the latent heat. The crystalline distortion removes the band degeneracy so that the correlation energy becomes comparable with the band width and a metal-insulator transition takes place

  11. On the resistivity of metal-tellurium alloys for low concentrations of tellurium

    International Nuclear Information System (INIS)

    Gorecki, J.

    1982-04-01

    The resistivity and thermoelectric power of metal-tellurium liquid alloys have been discussed for the case of small tellurium concentration. Nearly free electron model of conduction band has been used. The rapid increase of resistivity in transition metal-tellurium alloys has been predicted. (author)

  12. Alloying as a Route to Monolayer Transition Metal Dichalcogenides with Improved Optoelectronic Performance: Mo(S1–xSex)2 and Mo1–yWyS2

    KAUST Repository

    Shi, Zhiming

    2018-04-26

    On the basis of first-principles and cluster expansion calculations, we propose an effective approach to realize monolayer transition metal dichalcogenides with sizable band gaps and improved optoelectronic performance. We show that monolayer Mo(S1–xSex)2 and Mo1–yWyS2 with x = 1/3, 2/3 and y = 1/3, 1/2, 2/3 are stable according to phonon calculations and realize 1T′ or 1T″ phases. The transition barriers from the 2H phase are lower than for monolayer MoS2, implying that the 1T′ or 1T″ phases can be achieved experimentally. Furthermore, it turns out that the 1T″ monolayer alloys with x = 1/3, 2/3 and y = 1/3, 2/3 are semiconductors with band gaps larger than 1 eV, due to trimerization. The visible light absorption and carrier mobility are strongly improved as compared to 2H monolayer MoS2, MoSe2, and WS2. Thus, the 1T″ monolayer alloys have the potential to expand the applications of transition metal dichalcogenides, for example, in solar cells.

  13. Transition Metal Complexes and Catalysis

    Indian Academy of Sciences (India)

    approaches towards the study of bonding in transition metal complexes. Despite .... industrial scale reactions for the production of organic compounds using transition ..... It has found several applications as an engineering thermoplastic. .... and processes of interest to the company, that is, applied research. It is this very ...

  14. Transition metal nuclear magnetic resonance

    International Nuclear Information System (INIS)

    Pregosin, P.S.

    1991-01-01

    Transition metal NMR spectroscopy has progressed enormously in recent years. New methods, and specifically solid-state methods and new pulse sequences, have allowed access to data from nuclei with relatively low receptivities with the result that chemists have begun to consider old and new problems, previously unapproachable. Moreover, theory, computational science in particular, now permits the calculation of not just 13 C, 15 N and other light nuclei chemical shifts, but heavy main-group element and transition metals as well. These two points, combined with increasing access to high field pulsed spectrometer has produced a wealth of new data on the NMR transition metals. A new series of articles concerned with measuring, understanding and using the nuclear magnetic resonance spectra of the metals of Group 3-12 is presented. (author)

  15. Development of the high-temperature, solid-state, electromotive force technique to study the thermodynamics of Lewis-acid-base transition metal alloys

    International Nuclear Information System (INIS)

    Bullard, G.L.

    1978-05-01

    The basic principles of the Engel-Brewer theory of metals are summarized and illustrated. Definitions of words used to describe its fundamentals are clarified. The theory predicts the extreme stability of the Lewis-acid-base alloys. The thermodynamics of such alloys may be obtained through the use of oxide-electrolyte, electrochemical cells. Experimental techniques associated with the use of these cells are explained in detail. Much attention is given to the preparation and processing of the materials required. A selective review of the cell literature demonstrates frequent difficulty in obtaining accurate thermodynamic data. In an attempt to correct this situation, as well as to correct problems discovered in this work, the physical processes which create the cell emf are clearly identified. The fundamental understanding afforded by the resulting cell model implies the procedures used to both discover and eliminate errors. Those due to concentration overpotentials, reactive impurities in the gas phase, and interfacial reactions are carefully analyzed. The procedures used to test for and attain equilibrium in an alloy-oxide, powder compact are supported through identification of the transport processes that mediate equilibration

  16. Development of the high-temperature, solid-state, electromotive force technique to study the thermodynamics of Lewis-acid-base transition metal alloys

    Energy Technology Data Exchange (ETDEWEB)

    Bullard, G.L.

    1978-05-01

    The basic principles of the Engel-Brewer theory of metals are summarized and illustrated. Definitions of words used to describe its fundamentals are clarified. The theory predicts the extreme stability of the Lewis-acid-base alloys. The thermodynamics of such alloys may be obtained through the use of oxide-electrolyte, electrochemical cells. Experimental techniques associated with the use of these cells are explained in detail. Much attention is given to the preparation and processing of the materials required. A selective review of the cell literature demonstrates frequent difficulty in obtaining accurate thermodynamic data. In an attempt to correct this situation, as well as to correct problems discovered in this work, the physical processes which create the cell emf are clearly identified. The fundamental understanding afforded by the resulting cell model implies the procedures used to both discover and eliminate errors. Those due to concentration overpotentials, reactive impurities in the gas phase, and interfacial reactions are carefully analyzed. The procedures used to test for and attain equilibrium in an alloy-oxide, powder compact are supported through identification of the transport processes that mediate equilibration.

  17. Noble metal alloys for metal-ceramic restorations.

    Science.gov (United States)

    Anusavice, K J

    1985-10-01

    A review of the comparative characteristics and properties of noble metal alloys used for metal-ceramic restorations has been presented. Selection of an alloy for one's practice should be based on long-term clinical data, physical properties, esthetic potential, and laboratory data on metal-ceramic bond strength and thermal compatibility with commercial dental porcelains. Although gold-based alloys, such as the Au-Pt-Pd, Au-Pd-Ag, and Au-Pd classes, may appear to be costly compared with the palladium-based alloys, they have clearly established their clinical integrity and acceptability over an extended period of time. Other than the relatively low sag resistance of the high gold-low silver content alloys and the potential thermal incompatibility with some commercial porcelain products, few clinical failures have been observed. The palladium-based alloys are less costly than the gold-based alloys. Palladium-silver alloys require extra precautions to minimize porcelain discoloration. Palladium-copper and palladium-cobalt alloys may also cause porcelain discoloration, as copper and cobalt are used as colorants in glasses. The palladium-cobalt alloys are least susceptible to high-temperature creep compared with all classes of noble metals. Nevertheless, insufficient clinical data exist to advocate the general use of the palladium-copper and palladium-cobalt alloys at the present time. One should base the selection and use of these alloys in part on their ability to meet the requirements of the ADA Acceptance Program. A list of acceptable or provisionally acceptable alloys is available from the American Dental Association and is published annually in the Journal of the American Dental Association. Dentists have the legal and ethical responsibility for selection of alloys used for cast restorations. This responsibility should not be delegated to the dental laboratory technician. It is advisable to discuss the criteria for selection of an alloy with the technician and the

  18. Adlayer Core-Level Shifts of Random Metal Overlayers on Transition-Metal Substrates

    DEFF Research Database (Denmark)

    Ganduglia-Pirovano, M. V.; Kudrnovský, J.; Scheffler, M.

    1997-01-01

    and the screening effects induced by the core hole, and study the influence of the alloy composition for a number of noble metal-transition metal systems. Our analysis clearly indicates the importance of final-state screening effects for the interpretation of measured core-level shifts. Calculated deviations from...

  19. Production and properties of light-metal base amorphous alloys

    International Nuclear Information System (INIS)

    Inoue, Akihisa; Masumoto, Tsuyoshi

    1993-01-01

    Light-metal base alloys with high specific strength and good corrosion resistance were produced through amorphization of Al and Mg-based alloys. The amorphous phase is formed in rapidly solidified Al-TM-Ln and Mg-TM-Ln (TM=transition metal, Ln=lanthanide metal) alloys. The highest tensile strength (σ f ) reaches 1,330 MPa for the Al base and 830 MPa for the Mg base. Furthermore, the Mg-based alloys have a large glass-forming capacity which enables to produce an amorphous phase by a metallic mold casting method. The extrusion of the Al-based amorphous powders at temperatures above crystallization temperature caused the formation of high strength materials with finely mixed structure consisting of dispersed intermetallic compounds in an Al matrix. The highest values of σ f and fatigue limit are as high as 940 and 313 MPa, respectively, at room temperature and 520 and 165 MPa at 473 K. The extruded Al-Ni-Mm alloy has already been used as machine parts and subsequent further development as practical materials is expected by taking these advantages

  20. Half-metallic ferromagnetism in (Z B, Al, Ga, and In) Heusler alloys ...

    Indian Academy of Sciences (India)

    K H SADEGHI

    2018-01-03

    11], and zincblende (ZB) transition-metal pnictides and chalcogenides [12–17]. Among HM ferromagnets, Heusler alloys are attractive because of their technical applications (in spin-injection devices [18], spin-filters [19], ...

  1. Metal induced crystallization of silicon germanium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gjukic, M.

    2007-05-15

    In the framework of this thesis the applicability of the aluminium-induced layer exchange on binary silicon germanium alloys was studied. It is here for the first time shown that polycrstalline silicon-germanium layers can be fabricated over the whole composition range by the aluminium-induced layer exchange. The experimental results prove thet the resulting material exhibits a polycrystalline character with typocal grain sizes of 10-100 {mu}m. Raman measurements confirm that the structural properties of the resulting layers are because of the large crystallites more comparable with monocrystalline than with nano- or microcrystalline silicon-germanium. The alloy ratio of the polycrystalline layer correspondes to the chemical composition of the amorphous starting layer. The polycrystalline silicon-germanium layers possess in the range of the interband transitions a reflection spectrum, as it is otherwise only known from monocrystalline reference layers. The improvement of the absorption in the photovoltaically relevant spectral range aimed by the application of silicon-germanium could be also proved by absorption measurments. Strongly correlated with the structural properties of the polycrystalline layers and the electronic band structure resulting from this are beside the optical properties also the electrical properties of the material, especially the charge-carrier mobility and the doping concentration. For binary silicon-germanium layers the hole concentration of about 2 x 10{sup 18} cm{sup -3} for pure silicon increrases to about 5 x 10{sup 20} cm{sub -3} for pure germanium. Temperature-resolved measurements were applied in order to detect doping levels respectively semiconductor-metal transitions. In the last part of the thesis the hydrogen passivation of polycrystalline thin silicon-germanium layers, which were fabricated by means of aluminium-induced layer exchange, is treated.

  2. Metastability and thermophysical properties of metallic bulk glass forming alloys

    International Nuclear Information System (INIS)

    Wunderlich, R.K.; Fecht, H.J.

    1998-01-01

    The absence of crystallization over a wide time/temperature window can be used to produce bulk metallic glass by relatively slow cooling of the melt. For a number of alloys, including several multicomponent Zr-based alloys, the relevant thermodynamic and thermomechanical properties of the metastable glassy and undercooled liquid states have been measured below and above the glass transition temperature. These measurements include specific heat, viscosity, volume, and elastic properties as a function of temperature. As a result, it becomes obvious that the maximum undercooling for these alloys is given by an isentropic condition before an enthalpic or isochoric instability is reached. Alternatively, these glasses can also be produced by mechanical alloying, thus replacing the thermal disorder by static disorder and resulting in the same thermodynamic glass state. During heating through the undercooled liquid, a nanoscale phase separation occurs for most glasses as a precursor of crystallization

  3. Amorphous Metallic Alloys: Pathways for Enhanced Wear and Corrosion Resistance

    Science.gov (United States)

    Aditya, Ayyagari; Felix Wu, H.; Arora, Harpreet; Mukherjee, Sundeep

    2017-11-01

    Amorphous metallic alloys are widely used in bulk form and as coatings for their desirable corrosion and wear behavior. Nevertheless, the effects of heat treatment and thermal cycling on these surface properties are not well understood. In this study, the corrosion and wear behavior of two Zr-based bulk metallic glasses were evaluated in as-cast and thermally relaxed states. Significant improvement in wear rate, friction coefficient, and corrosion penetration rate was seen for both alloys after thermal relaxation. A fully amorphous structure was retained with thermal relaxation below the glass transition. There was an increase in surface hardness and elastic modulus for both alloys after relaxation. The improvement in surface properties was explained based on annihilation of free volume.

  4. Formation of amorphous metal alloys by chemical vapor deposition

    Science.gov (United States)

    Mullendore, A.W.

    1988-03-18

    Amorphous alloys are deposited by a process of thermal dissociation of mixtures of organometallic compounds and metalloid hydrides,e.g., transition metal carbonyl, such as nickel carbonyl and diborane. Various sizes and shapes of deposits can be achieved, including near-net-shape free standing articles, multilayer deposits, and the like. Manipulation or absence of a magnetic field affects the nature and the structure of the deposit. 1 fig.

  5. Electrochemical Impedance Spectroscopy Of Metal Alloys

    Science.gov (United States)

    Macdowell, L. G.; Calle, L. M.

    1993-01-01

    Report describes use of electrochemical impedance spectroscopy (EIS) to investigate resistances of 19 alloys to corrosion under conditions similar to those of corrosive, chloride-laden seaside environment of Space Transportation System launch site. Alloys investigated: Hastelloy C-4, C-22, C-276, and B-2; Inconel(R) 600, 625, and 825; Inco(R) G-3; Monel 400; Zirconium 702; Stainless Steel 304L, 304LN, 316L, 317L, and 904L; 20Cb-3; 7Mo+N; ES2205; and Ferralium 255. Results suggest electrochemical impedance spectroscopy used to predict corrosion performances of metal alloys.

  6. Surface energy of metal alloy nanoparticles

    Science.gov (United States)

    Takrori, Fahed M.; Ayyad, Ahmed

    2017-04-01

    The measurement of surface energy of alloy nanoparticles experimentally is still a challenge therefore theoretical work is necessary to estimate its value. In continuation of our previous work on the calculation of the surface energy of pure metallic nanoparticles we have extended our work to calculate the surface energy of different alloy systems, namely, Co-Ni, Au-Cu, Cu-Al, Cu-Mg and Mo-Cs binary alloys. It is shown that the surface energy of metallic binary alloy decreases with decreasing particle size approaching relatively small values at small sizes. When both metals in the alloy obey the Hume-Rothery rules, the difference in the surface energy is small at the macroscopic as well as in the nano-scale. However when the alloy deviated from these rules the difference in surface energy is large in the macroscopic and in the nano scales. Interestingly when solid solution formation is not possible at the macroscopic scale according to the Hume-Rothery rules, it is shown it may form at the nano-scale. To our knowledge these findings here are presented for the first time and is challenging from fundamental as well as technological point of views.

  7. Metals and Alloys Material Stabilization Process Plan

    Energy Technology Data Exchange (ETDEWEB)

    RISENMAY, H.R.; BURK, R.A.

    2000-05-18

    This Plan outlines the process for brushing metal and alloys in accordance with the path forward discussed in the Integrated Project Management Plan for the Plutonium Finishing Plant Stabilization and Deactivation Project, HNF-3617, and requirements set forth in the Project Management Plan for Materials Stabilization, HNF-3605. This plan provides the basis for selection of the location to process, the processes involved, equipment to be used, and the characterization of the contents of the can. The scope of the process is from retrieval of metals and alloys from storage to transfer back to storage in a repackaged configuration.

  8. Metals and Alloys Material Stabilization Process Plan

    International Nuclear Information System (INIS)

    RISENMAY, H.R.; BURK, R.A.

    2000-01-01

    This Plan outlines the process for brushing metal and alloys in accordance with the path forward discussed in the Integrated Project Management Plan for the Plutonium Finishing Plant Stabilization and Deactivation Project, HNF-3617, and requirements set forth in the Project Management Plan for Materials Stabilization, HNF-3605. This plan provides the basis for selection of the location to process, the processes involved, equipment to be used, and the characterization of the contents of the can. The scope of the process is from retrieval of metals and alloys from storage to transfer back to storage in a repackaged configuration

  9. Theoretical studies of metallic alloys

    International Nuclear Information System (INIS)

    Faulkner, J.S.; Wille, L.T.

    1991-07-01

    A new method to predict and understand the structure and phase stability of solid-solution alloys from a knowledge only of the atomic numbers of the constituent atoms is being developed. The coherent potential approximation will be used to obtain the electronic contribution to the energy and the Monte Carlo method of statistical mechanics will be used for the thermodynamic part of the calculation. An improved coherent potential approximation will be developed by combining the standard approach with the quadratic KKR (QKKR) band theory method. This will make it easier to predict the properties of alloys from first principles. The QKKR method will be developed further

  10. TEM of nanostructured metals and alloys

    International Nuclear Information System (INIS)

    Karnthaler, H.P.; Waitz, T.; Rentenberger, C.; Mingler, B.

    2004-01-01

    Nanostructuring has been used to improve the mechanical properties of bulk metals and alloys. Transmission electron microscopy (TEM) including atomic resolution is therefore appropriate to study these nanostructures; four examples are given as follows. (1) The early stages of precipitation at RT were investigated in an Al-Mg-Si alloy. By high resolution TEM it is shown that the precipitates lie on (0 0 1) planes having an ordered structure. (2) In Co alloys the fronts of martensitic phase transformations were analysed showing that the transformation strains are very small thus causing no surface relief. (3) Re-ordering and recrystallization were studied by in situ TEM of an Ni 3 Al alloy being nanocrystalline after severe plastic deformation. (4) In NiTi severe plastic deformation is leading to the formation of amorphous shear bands. From the TEM analysis it is concluded that the amorphization is caused by plastic shear instability starting in the shear bands

  11. Alloy with metallic glass and quasi-crystalline properties

    Science.gov (United States)

    Xing, Li-Qian; Hufnagel, Todd C.; Ramesh, Kaliat T.

    2004-02-17

    An alloy is described that is capable of forming a metallic glass at moderate cooling rates and exhibits large plastic flow at ambient temperature. Preferably, the alloy has a composition of (Zr, Hf).sub.a Ta.sub.b Ti.sub.c Cu.sub.d Ni.sub.e Al.sub.f, where the composition ranges (in atomic percent) are 45.ltoreq.a.ltoreq.70, 3.ltoreq.b.ltoreq.7.5, 0.ltoreq.c.ltoreq.4, 3.ltoreq.b+c.ltoreq.10, 10.ltoreq.d.ltoreq.30, 0.ltoreq.e.ltoreq.20, 10.ltoreq.d+e.ltoreq.35, and 5.ltoreq.f.ltoreq.15. The alloy may be cast into a bulk solid with disordered atomic-scale structure, i.e., a metallic glass, by a variety of techniques including copper mold die casting and planar flow casting. The as-cast amorphous solid has good ductility while retaining all of the characteristic features of known metallic glasses, including a distinct glass transition, a supercooled liquid region, and an absence of long-range atomic order. The alloy may be used to form a composite structure including quasi-crystals embedded in an amorphous matrix. Such a composite quasi-crystalline structure has much higher mechanical strength than a crystalline structure.

  12. Metal-to-nonmetal transitions

    CERN Document Server

    Hensel, Friedrich; Holst, Bastian

    2010-01-01

    This book is devoted to nonmetal-to-metal transitions. The original ideas of Mott for such a transition in solids have been adapted to describe a broad variety of phenomena in condensed matter physics (solids, liquids, and fluids), in plasma and cluster physics, as well as in nuclear physics (nuclear matter and quark-gluon systems). The book gives a comprehensive overview of theoretical methods and experimental results of the current research on the Mott effect for this wide spectrum of topics. The fundamental problem is the transition from localized to delocalized states which describes the nonmetal-to-metal transition in these diverse systems. Based on the ideas of Mott, Hubbard, Anderson as well as Landau and Zeldovich, internationally respected scientists present the scientific challenges and highlight the enormous progress which has been achieved over the last years. The level of description is aimed to specialists in these fields as well as to young scientists who will get an overview for their own work...

  13. Fatigue Characteristics of Selected Light Metal Alloys

    Directory of Open Access Journals (Sweden)

    Cieśla M.

    2016-03-01

    Full Text Available The paper addresses results of fatigue testing of light metal alloys used in the automotive as well as aerospace and aviation industries, among others. The material subject to testing comprised hot-worked rods made of the AZ31 alloy, the Ti-6Al-4V two-phase titanium alloy and the 2017A (T451 aluminium alloy. Both low- and high-cycle fatigue tests were conducted at room temperature on the cycle asymmetry ratio of R=-1. The low-cycle fatigue tests were performed using the MTS-810 machine on two levels of total strain, i.e.Δεc= 1.0% and 1.2%. The high-cycle fatigue tests, on the other hand, were performed using a machine from VEB Werkstoffprufmaschinen-Leipzig under conditions of rotary bending. Based on the results thus obtained, one could develop fatigue life characteristics of the materials examined (expressed as the number of cycles until failure of sample Nf as well as characteristics of cyclic material strain σa=f(N under the conditions of low-cycle fatigue testing. The Ti-6Al-4V titanium alloy was found to be characterised by the highest value of fatigue life Nf, both in lowand high-cycle tests. The lowest fatigue life, on the other hand, was established for the aluminium alloys examined. Under the high-cycle fatigue tests, the life of the 2017A aluminium and the AZ31 magnesium alloy studied was determined by the value of stress amplitude σa. With the stress exceeding 150 MPa, it was the aluminium alloy which displayed higher fatigue life, whereas the magnesium alloy proved better on lower stress.

  14. Overlay metallic-cermet alloy coating systems

    International Nuclear Information System (INIS)

    Gedwill, M.A.; Glasgow, T.K.; Levine, S.R.

    1982-01-01

    A substrate, such as a turbine blade, vane, or the like, which is subjected to high temperature use is coated with a base coating of an oxide dispersed, metallic alloy (cermet). A top coating of an oxidation, hot corrosion, erosion resistant alloy of nickel, cobalt, or iron is then deposited on the base coating. A heat treatment is used to improve the bonding. The base coating serves as an inhibitor to interdiffusion between the protective top coating and the substrate. Otherwise, the protective top coating would rapidly interact detrimentally with the substrate and degrade by spalling of the protective oxides formed on the outer surface at elevated temperatures

  15. Overlay metallic-cermet alloy coating systems

    Science.gov (United States)

    Gedwill, M. A.; Levine, S. R.; Glasgow, T. K. (Inventor)

    1984-01-01

    A substrate, such as a turbine blade, vane, or the like, which is subjected to high temperature use is coated with a base coating of an oxide dispersed, metallic alloy (cermet). A top coating of an oxidation, hot corrosion, erosion resistant alloy of nickel, cobalt, or iron is then deposited on the base coating. A heat treatment is used to improve the bonding. The base coating serves as an inhibitor to interdiffusion between the protective top coating and the substrate. Otherwise, the protective top coating would rapidly interact detrimentally with the substrate and degrade by spalling of the protective oxides formed on the outer surface at elevated temperatures.

  16. Thermal expansion: Metallic elements and alloys. [Handbook

    Science.gov (United States)

    Touloukian, Y. S.; Kirby, R. K.; Taylor, R. E.; Desai, P. D.

    1975-01-01

    The introductory sections of the work are devoted to the theory of thermal expansion of solids and to methods for the measurement of the linear thermal expansion of solids (X-ray methods, high speed methods, interferometry, push-rod dilatometry, etc.). The bulk of the work is devoted to numerical data on the thermal linear expansion of all the metallic elements, a large number of intermetallics, and a large number of binary alloy systems and multiple alloy systems. A comprehensive bibliography is provided along with an index to the materials examined.

  17. Electrochromism in transition metal oxides

    International Nuclear Information System (INIS)

    Estrada, W.

    1993-01-01

    Electrochromism is discussed for transition metal oxides. Particularly tungsten oxide and nickel oxide are reviewed, in order to put forth the different aspects of the field. Since this phenomena has been reviewed by several authors, it is not tried to be comprehensive but rather pedagogical. The basic requirements for a material -in both non-emissive displays and energy efficiency applications- to be electrochromic, a general view of electrochromic mechanism, anodic and cathodic electrochromic materials, and current problems for a electrochromic theory are presented. (author) 45 refs., 8 figs

  18. Heterostructures of transition metal dichalcogenides

    KAUST Repository

    Amin, Bin

    2015-08-24

    The structural, electronic, optical, and photocatalytic properties of out-of-plane and in-plane heterostructures of transition metal dichalcogenides are investigated by (hybrid) first principles calculations. The out-of-plane heterostructures are found to be indirect band gap semiconductors with type-II band alignment. Direct band gaps can be achieved by moderate tensile strain in specific cases. The excitonic peaks show blueshifts as compared to the parent monolayer systems, whereas redshifts occur when the chalcogen atoms are exchanged along the series S-Se-Te. Strong absorption from infrared to visible light as well as excellent photocatalytic properties can be achieved.

  19. Relaxation processes during amorphous metal alloys heating

    International Nuclear Information System (INIS)

    Malinochka, E.Ya.; Durachenko, A.M.; Borisov, V.T.

    1982-01-01

    Behaviour of Te+15 at.%Ge and Fe+13 at.%P+7 at.%C amorphous metal alloys during heating has been studied using the method of differential scanning calorimetry (DSC) as the most convenient one for determination of the value of heat effects, activation energies, temperature ranges of relaxation processes. Thermal effects corresponding to high-temperature relaxation processes taking place during amorphous metal alloys (AMA) heating are detected. The change of ratio of relaxation peaks values on DSC curves as a result of AMA heat treatment can be explained by the presence of a number of levels of inner energy in amorphous system, separated with potential barriers, the heights of which correspond to certain activation energies of relaxation processes

  20. Numerical simulation of the alloying process during impulse induction heating of the metal substrate

    Science.gov (United States)

    Popov, V. N.

    2017-10-01

    2D numerical modeling of the processes during the alloying of the substrate surface metal layer is carried out. Heating, phase transition, heat and mass transfer in the molten metal, solidification of the melt are considered with the aid the proposed mathematical model. Under study is the applicability of the high-frequency electromagnetic field impulse for metal heating and melting. The distribution of the electromagnetic energy in the metal is described by empirical formulas. According to the results of numerical experiments, the flow structure in the melt and distribution of the alloying substances is evaluated.

  1. Full Electroresistance Modulation in a Mixed-Phase Metallic Alloy

    Science.gov (United States)

    Liu, Z. Q.; Li, L.; Gai, Z.; Clarkson, J. D.; Hsu, S. L.; Wong, A. T.; Fan, L. S.; Lin, M.-W.; Rouleau, C. M.; Ward, T. Z.; Lee, H. N.; Sefat, A. S.; Christen, H. M.; Ramesh, R.

    2016-03-01

    We report a giant, ˜22 %, electroresistance modulation for a metallic alloy above room temperature. It is achieved by a small electric field of 2 kV /cm via piezoelectric strain-mediated magnetoelectric coupling and the resulting magnetic phase transition in epitaxial FeRh /BaTiO3 heterostructures. This work presents detailed experimental evidence for an isothermal magnetic phase transition driven by tetragonality modulation in FeRh thin films, which is in contrast to the large volume expansion in the conventional temperature-driven magnetic phase transition in FeRh. Moreover, all the experimental results in this work illustrate FeRh as a mixed-phase model system well similar to phase-separated colossal magnetoresistance systems with phase instability therein.

  2. High coercivity rare earth-transition metal magnets

    International Nuclear Information System (INIS)

    Croat, J.J.

    1982-01-01

    Ferromagnetic compositions having intrinsic magnetic coercivities at room temperature of at least 1,000 Oersteds are formed by the controlled quenching of molten rare earth -transition metal alloys. Hard magnets may be inexpensively formed from the lower atomic weight lanthanide elements and iron. The preferable compositions lie within: at least one of Fe, Ni, Co (20 to 70 atomic percent); and at least one of Ce, Pr, Na, Sm, Eu, Tb, Dy, Ho, Er, Tm, Y (80 to 30 atomic percent). (author)

  3. High coercivity rare earth-transition metal magnets

    International Nuclear Information System (INIS)

    Croat, J.J.

    1982-01-01

    Ferromagnetic compositions having intrinsic magnetic coercivities at room temperature of at least 1,000 Oersteds are formed by the controlled quenching of molten rare earth-transition metal alloys. Hard magnets may be inexpensively formed from the lower atomic weight lanthanide elements and iron. The preferable compositions lie within: at least one of Fe, Ni, Co; 20 - 70 atomic percent: at least one of Ce, Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Y; 80 - 30 atomic percent. (author)

  4. Cast bulk metallic glass alloys: prospects as wear materials

    Energy Technology Data Exchange (ETDEWEB)

    Hawk, Jeffrey A.; Dogan, Omer N.; Shiflet, Gary J. (Dept. of Materials Science and Engineering, University of Virginia, Charlottesville, VA)

    2005-01-01

    Bulk metallic glasses are single phase materials with unusual physical and mechanical properties. One intriguing area of possible use is as a wear material. Usually, pure metals and single phase dilute alloys do not perform well in tribological conditions. When the metal or alloy is lightweight, it is usually soft leading to galling in sliding situations. For the harder metals and alloys, their density is usually high, so there is an energy penalty when using these materials in wear situations. However, bulk metallic glasses at the same density are usually harder than corresponding metals and dilute single phase alloys, and so could offer better wear resistance. This work will discuss preliminary wear results for metallic glasses with densities in the range of 4.5 to 7.9 g/cc. The wear behavior of these materials will be compared to similar metals and alloys.

  5. Laser processing of metals and alloys

    International Nuclear Information System (INIS)

    Goswami, G.L.; Kumar, Dilip; Roy, P.R.

    1988-01-01

    Laser, due to its high degree of coherence can produce powder density in the range of 10 3 -10 11 W/mm 2 . This high power density of the laser beam enables it to be utilized for many industrial applications, e.g. welding, cutting, drilling, surface treatment, etc. Laser processing of materials has many advantages, e.g. good quality product at high processing speed, least heat affected zone, minimum distortion, etc. In addition, the same laser system can be utilized for different applications, a very cost effective factor for any industry. Therefore laser has been adopted for processing of different materials for a wide range of applications and is now replacing conventional materials processing techniques on commercial merits with several economic and metallurgical advantages. Applications of laser to process materials of different thicknesses varying from 0.1 mm to 100 mm have demonstrat ed its capability as an important manufacturing tool for engineering industries. While lasers have most widely been utilized in welding, cutting and drilling they have also found applications in surface treatment of metals and alloys, e.g. transfor mation hardening and annealing. More recently, there has been significant amount of research being undertaken in laser glazing, laser surface alloying and laser cladding for obtaining improved surface properties. This report reviews the stat us of laser processing of metals and alloys emphasising its metallurgical aspects a nd deals with the different laser processes like welding, cutting, drilling and surface treatment highlighting the types and choice of laser and its interaction with metals and alloys and the applications of these processes. (author). 93 refs., 32 figs., 7 tables

  6. Influence of alkali metal hydroxides on corrosion of Zr-base alloys

    International Nuclear Information System (INIS)

    Jeong, Yong Hwan

    1996-01-01

    The influence of group-1 alkali hydroxides on different Zr-based alloys have been carried out in static autoclaves at 350 deg C in pressurized water, conditioned in low(0.32 mmol), medium(4.3 mmol) and high(31.5 mmol) equimolar concentration of Li-, Na-, K-, Rb- and Cs-hydroxide. Two types of alloys have been investigated: Zr-Sn-(TRM, Transition metal) and Zr-Sn-Nb-(TRM, Transition metal). From the experiments the cation could be identified as the responsible species for corrosion of Zr alloy in alkalized water. The radius of the cation governs the accelerated corrosion in the pre-transition region of Zr alloy. Incorporation of alkali cation into the zirconium oxide lattice is probably the mechanism which allows the corrosion enhancement for Li and Na and the significant lower effect for the other bases. Nb containing alloys showed lower corrosion resistance than Zr-Sn-TRM alloys in all alkali solutions. Both types of alloys were corroded significantly more in LiOH and NaOH than in the other alkali environments. Lowest corrosive aggressiveness has been found for CsOH followed by KOH. Concluding from the corrosion behavior in the different alkali environments and taking into account the tendency to accelerate the corrosion of Zr alloys, CsOH and KOH are possible alternate alkali for PWR (Pressurized Water Reactor) application. (author)

  7. Properties- and applications of quasicrystals and complex metallic alloys.

    Science.gov (United States)

    Dubois, Jean-Marie

    2012-10-21

    This article aims at an account of what is known about the potential for applications of quasicrystals and related compounds, the so-called family of Complex Metallic Alloys (CMAs‡). Attention is focused at aluminium-based CMAs, which comprise a large number of crystalline compounds and quasicrystals made of aluminium alloyed with transition metals (like Fe or Cu) or normal metals like Mg. Depending on composition, the structural complexity varies from a few atoms per unit cell up to thousands of atoms. Quasicrystals appear then as CMAs of ultimate complexity and exhibit a lattice that shows no periodicity anymore in the usual 3-dimensional space. Properties change dramatically with lattice complexity and turn the metal-type behaviour of simple Al-based crystals into a far more complex behaviour, with a fingerprint of semi-conductors that may be exploited in various applications, potential or realised. An account of the ones known to the author is given in the light of the relevant properties, namely light absorption, reduced adhesion and friction, heat insulation, reinforcement of composites for mechanical devices, and few more exotic ones. The role played by the search for applications of quasicrystals in the development of the field is briefly addressed in the concluding section.

  8. Surface studies of liquid metals and alloys

    International Nuclear Information System (INIS)

    Bastasz, Robert

    2003-01-01

    Liquid metals and alloys have been proposed for use in nuclear fusion reactors to serve as replaceable plasma-facing surfaces that remove particles and heat from reacting plasmas. Several materials are being considered for this purpose including lithium, gallium, and tin as well as some of the alloys made from these elements. In order to better understand the properties of liquid surfaces, the technique of low-energy ion scattering was used to examine the surface composition of several of these materials in vacuum as a function of temperature. Oxygen is found to rapidly segregate to the surface of several metallic liquids. The segregation process can be interpreted using a simple thermodynamic model based on Gibbs theory. In the case of an alloy of Sn and Li, Li also segregates to the liquid surface. This provides a means to produce a surface enriched in Li, which is more plasma compatible than Sn, without the need to handle large quantities of liquid Li. (author)

  9. Mass transport in non crystalline metallic alloys

    International Nuclear Information System (INIS)

    Limoge, Y.

    1986-08-01

    In order to improve our understanding of mass transport in non crystalline metallic alloys we have developed indirect studies of diffusion based on electron irradiation and hydrostatic pressure effects upon crystallization. In a first part we present the models of crystallization which are used, then we give the experimental results. The main point is the first experimental measurement of the activation volume for diffusion in a metallic glass: the value of which is roughly one atomic volume. We show also recent quantitative results concerning radiation enhanced diffusion in metallic glasses (FeNi) 8 (PB) 2 and Ni 6 Nb 4 . In a last part we discuss the atomic model needed to explain our results

  10. Metal-ceramic alloys in dentistry: a review.

    Science.gov (United States)

    Roberts, Howard W; Berzins, David W; Moore, B Keith; Charlton, David G

    2009-02-01

    The purpose of this article is to review basic information about the alloys used for fabricating metal-ceramic restorations in dentistry. Their compositions, properties, advantages, and disadvantages are presented and compared. In addition to reviewing traditional noble-metal and base-metal metal-ceramic alloys, titanium and gold composite alloys are also discussed. A broad search of the published literature was performed using Medline to identify pertinent current articles on metal-ceramic alloys as well as articles providing a historical background about the development of these alloys. Textbooks, the internet, and manufacturers' literature were also used to supplement this information. The review discusses traditional as well as more recently-developed alloys and technologies used in dentistry for fabricating metal-ceramic restorations. Clear advantages and disadvantages for these alloy types are provided and discussed as well as the role that compositional variations have on the alloys' performance. This information should enable clinicians and technicians to easily identify the important physical properties of each type and their primary clinical indications. A number of alloys and metals are available for metal-ceramic use in dentistry. Each has its advantages and disadvantages, primarily based on its specific composition. Continuing research and development are resulting in the production of new technologies and products, giving clinicians even more choices in designing and fabricating metal-ceramic restorations.

  11. Metal dusting of low alloy steels

    Energy Technology Data Exchange (ETDEWEB)

    Grabke, H.J. (Max-Planck-Institut fuer Eisenforschung GmbH, Duesseldorf (Germany)); Bracho-Troconis, C.B. (Max-Planck-Institut fuer Eisenforschung GmbH, Duesseldorf (Germany)); Mueller-Lorenz, E.M. (Max-Planck-Institut fuer Eisenforschung GmbH, Duesseldorf (Germany))

    1994-04-01

    The metal dusting of two low alloy steels was investigated at 475 C in flowing CO-H[sub 2]-H[sub 2]O mixtures at atmospheric pressure with a[sub C] > 1. The reaction sequence comprises: (1) oversaturation with C, formation of cementite and its decomposition to metal particles and carbon, and (2) additional carbon deposition on the metal particles from the atmosphere. The metal wastage rate r[sub 1] was determined by analysis of the corrosion product after exposures, this rate is constant with time and virtually independent of the environment. The carbon deposition from the atmosphere was determined by thermogravimetry, its rate r[sub 2] increases linearly with time, which can be explained by the catalytic action of the metal particles - periodic changes are superposed. The rate of carbon deposition r[sub 2] is proportional to the carbon activity in the atmosphere. The metal dusting could not be suppressed by increasing the oxygen activity or preoxidation, even if magnetite should be stable. Addition of H[sub 2]S, however, effectively suppresses the attack. (orig.)

  12. Near net shape processing of zirconium or hafnium metals and alloys

    International Nuclear Information System (INIS)

    Evans, S.C.

    1992-01-01

    This patent describes a process for producing a metal shape. It comprises: plasma arc melting a metal selected from zirconium, hafnium and alloys thereof comprising at least about 90 w/o of these metals to form a liquid pool; pouring the metal form the pool into a mold to form a near net shape; and reducing the metal from its near net shape to a final size while maintaining the metal temperature below the alpha-beta transition temperature throughout the size reducing step

  13. Radiation embrittlement of metals and alloys

    International Nuclear Information System (INIS)

    Wechsler, M.S.

    1975-01-01

    Three types of radiation embrittlement are identified: (1) radiation embrittlement in nominally ductile metals, (2) radiation embrittlement in metals that undergo a ductile-brittle transition, and (3) high-temperature grain boundary embrittlement. This paper deals with type (1) and, more briefly, type (2) radiation embrittlement. Radiation embrittlement in nominally ductile metals is characterized by the premature onset of plastic instability, which causes a sharp decrease in the macroscopic plastic strain that the material can sustain before necking (uniform strain) and breaking (fracture strain). Dislocation channeling seems to be largely responsible and experimental results are reviewed. The origin of dislocation channeling is discussed. Irradiated metals that exhibit a ductile-brittle transition show an increase in the transition temperature but the nature of the transition (shear to cleavage fracture) does not appear to be greatly altered. A key factor is the temperature dependence of yielding and how it is affected upon irradiation. Impurities exert an influence on the stability of radiation-produced defect clusters and thus can alter the amount of radiation embrittlement experienced upon irradiation at somewhat elevated temperatures. In general, radiation embrittlement appears to stem mostly from changes in plastic properties (particularly in the trend toward more dynamic and inhomogeneous plastic deformation) rather than from changes in the inherent fracture process. 63 references, 10 figures

  14. Hydrogen storage alloys for nickel/metal hydride battery

    Energy Technology Data Exchange (ETDEWEB)

    Kuriyama, Nobuhiro; Sakai, Tetsuo; Myamura, Hiroshi; Tanaka, Hideaki; Ishikawa, Hiroshi; Uehara, Itsuki [Osaka National Research Inst. (Japan)

    1996-06-01

    Efforts to improve performance of metal hydride electrodes such as substitution of alloy components, heat treatment, and surface treatment intended to change surface and bulk structure of hydrogen storage alloys, mainly LaNi{sub 5} based alloys, are reviewed. The importance of control of morphology is emphasized. (author)

  15. Radiation blistering in metals and alloys

    International Nuclear Information System (INIS)

    Das, S.K.; Kaminsky, M.

    1975-01-01

    Radiation blistering in solids has been identified as a process leading to damage and erosion of irradiated surfaces. Some of the major parameters governing the blistering process in metals and some metallic alloys are the type of projectile and its energy, total dose, dose rate, target temperature, channeling condition of the projectile, orientation of the irradiated surface plane, and target material and its microstructure. Experimental results and models proposed for blister formation and rupture are reviewed. The blistering phenomenon is important as an erosion process in applications such as fusion reactor technology (plasma-wall interactions) and accelerator technology (erosion of components and targets). A description of methods for the reduction of surface erosion caused by blistering is included

  16. Electrodeposition of platinum metals and alloys from chloride melts

    Directory of Open Access Journals (Sweden)

    Saltykova N.A.

    2003-01-01

    Full Text Available The structure of platinum metals and their alloys deposited by the electrolysis of chloride melts have been investigated. The cathodic deposits were both in the form of compact layers and dendrites. All the alloys of platinum metals obtained are solid solutions in the whole range of composition. Depending on the experimental conditions the layers had columnar, stratum and spiral (dissipative structures. The stratum and dissipative structures were observed in the case of alloys only.

  17. Structure and properties of transition metal-metalloid glasses based on refractory metals

    International Nuclear Information System (INIS)

    Johnson, W.L.; Williams, A.R.

    1979-01-01

    The structure and properties of several new transition metal-metalloid (TM/sub 1-x/M/sub x/) metallic glasses based on refractory transition metals (e.g. Mo, W, Ru etc.) have been systemically investigated as a function of composition. The structure of the alloys has been investigated by x-ray diffraction methods and measurements of superconducting properties, electrical resistivity, density, hardness, and mechanical behavior were made. These data are used in developing a novel description of the structure of TM/sub 1-x/M/sub x/ glasses. The experimental evidence suggests that an ideal amorphous phase forms at a specific composition x/sub c/ and that this phase has a well defined atomic short range order. For metallic glasses having x x/sub c/. This novel picture can explain the variation of many properties of these glasses with metalloid concentration

  18. Dark excitations in monolayer transition metal dichalcogenides

    DEFF Research Database (Denmark)

    Deilmann, Thorsten; Thygesen, Kristian Sommer

    2017-01-01

    Monolayers of transition metal dichalcogenides (TMDCs) possess unique optoelectronic properties, including strongly bound excitons and trions. To date, most studies have focused on optically active excitations, but recent experiments have highlighted the existence of dark states, which are equally...

  19. Metals and alloys for Arctic use

    Energy Technology Data Exchange (ETDEWEB)

    Thurston, R C.A. [ed.

    1976-01-01

    The northlands of Canada can be regarded as a vast, but not inexhaustible, storehouse of mineral, oil and gas reserves. At the same time, this area is a delicate ecology that can easily be irreversibly damaged. It is vitally important that industrial activity associated with these reserves should proceed with a maximum of safety and a minimum risk of pollution, with optimum utilization of materials. In order to facilitate these objectives, appropriate technical information is required on the characteristics of available engineering metals and alloys with respect to service in Arctic and sub-Arctic environments. The body of this monograph consists of data sheets on irons and steels, aluminum, magnesium, titanium, copper, lead, tin, nickel and zinc alloys. Background information is given on the general characteristics of the various alloy systems, their advantages and disadvantages, on typical engineering applications, and on potential problem areas. Human difficulties associated with low temperature will exert some measure of control over the available construction periods, and may influence the techniques and materials used. A second important factor is the general inaccessibility of the northern regions. The designer must pay attention to reliability, ease of maintenance and ease of transportation. A premium is placed on the lightness and compactness of equipment, and may emphasize low density or high strength materials. Easy installation and removal is advantageous, due to the temporary nature of many operations, and the limited local labor available. Pollution avoidance must be considered, and aspects such as scrap recovery value and rate of degradation are important. In cases with little recovery value, corrosion resistance may be a disadvantage rather than an advantage. 238 refs., 7 figs., 26 tabs.

  20. Electrical resistivity of noble-metal alloys: Roles of pseudopotential refinements

    International Nuclear Information System (INIS)

    Mujibar Rahman, S.M.

    1983-08-01

    The electrical resistivity of liquid noble-metal alloys i.e. CuAu and AgAu is calculated as a function of concentration. The calculations employ transition-metal-pseudopotentials that include nonlocal effects, hybridization and corrections due to orthogonalization hole and use the hard-sphere structure factors; the optimal values of the hard-sphere diameters are being determined by variational calculations. The calculated resistivities are comparable to the experimental values and to the available theoretical results. (author)

  1. Investigation of americium-241 metal alloys for target applications

    International Nuclear Information System (INIS)

    Conner, W.V.; Rockwell International Corp., Golden, CO

    1982-01-01

    Several 241 Am metal alloys have been investigated for possible use in the Lawrence Livermore National Laboratory Radiochemical Diagnostic Tracer Program. Several properties were desired for an alloy to be useful for tracer program applications. A suitable alloy would have a fairly high density, be ductile, homogeneous and easy to prepare. Alloys investigated have included uranium-americium, aluminium-americium, and cerium-americium. Uranium-americium alloys with the desired properties proved to be difficult to prepare, and work with this alloy was discontinued. Aluminium-americium alloys were much easier to prepare, but the alloy consisted of an aluminium-americium intermetallic compound (AmAl 4 ) in an aluminum matrix. This alloy could be cast and formed into shapes, but the low density of aluminum, and other problems, made the alloy unsuitable for the intended application. Americium metal was found to have a high solid solubility in cerium and alloys prepared from these two elements exhibited all of the properties desired for the tracer program application. Cerium-americium alloys containing up to 34 wt% americium have been prepared using both co-melting and co-reduction techniques. The latter technique involves co-reduction of cerium tetrafluoride and americium tetrafluoride with calcium metal in a sealed reduction vessel. Casting techniques have been developed for preparing up to eight 2.2 cm (0.87 in) diameter disks in a single casting, and cerium-americium metal alloy disks containing from 10 to 25 wt% 241 Am have been prepared using these techniques. (orig.)

  2. Mesoporous Transition Metal Oxides for Supercapacitors

    OpenAIRE

    Wang, Yan; Guo, Jin; Wang, Tingfeng; Shao, Junfeng; Wang, Dong; Yang, Ying-Wei

    2015-01-01

    Recently, transition metal oxides, such as ruthenium oxide (RuO2), manganese dioxide (MnO2), nickel oxides (NiO) and cobalt oxide (Co3O4), have been widely investigated as electrode materials for pseudo-capacitors. In particular, these metal oxides with mesoporous structures have become very hot nanomaterials in the field of supercapacitors owing to their large specific surface areas and suitable pore size distributions. The high specific capacities of these mesoporous metal oxides are result...

  3. Plasmons in metallic monolayer and bilayer transition metal dichalcogenides

    DEFF Research Database (Denmark)

    Andersen, Kirsten; Thygesen, Kristian S.

    2013-01-01

    We study the collective electronic excitations in metallic single-layer and bilayer transition metal dichalcogenides (TMDCs) using time dependent density functional theory in the random phase approximation. For very small momentum transfers (below q≈0.02 Å−1), the plasmon dispersion follows the √q...

  4. Mass fractionation processes of transition metal isotopes

    Science.gov (United States)

    Zhu, X. K.; Guo, Y.; Williams, R. J. P.; O'Nions, R. K.; Matthews, A.; Belshaw, N. S.; Canters, G. W.; de Waal, E. C.; Weser, U.; Burgess, B. K.; Salvato, B.

    2002-06-01

    Recent advances in mass spectrometry make it possible to utilise isotope variations of transition metals to address some important issues in solar system and biological sciences. Realisation of the potential offered by these new isotope systems however requires an adequate understanding of the factors controlling their isotope fractionation. Here we show the results of a broadly based study on copper and iron isotope fractionation during various inorganic and biological processes. These results demonstrate that: (1) naturally occurring inorganic processes can fractionate Fe isotope to a detectable level even at temperature ˜1000°C, which challenges the previous view that Fe isotope variations in natural system are unique biosignatures; (2) multiple-step equilibrium processes at low temperatures may cause large mass fractionation of transition metal isotopes even when the fractionation per single step is small; (3) oxidation-reduction is an importation controlling factor of isotope fractionation of transition metal elements with multiple valences, which opens a wide range of applications of these new isotope systems, ranging from metal-silicate fractionation in the solar system to uptake pathways of these elements in biological systems; (4) organisms incorporate lighter isotopes of transition metals preferentially, and transition metal isotope fractionation occurs stepwise along their pathways within biological systems during their uptake.

  5. First-principles interatomic potentials for transition-metal aluminides. III. Extension to ternary phase diagrams

    International Nuclear Information System (INIS)

    Widom, Mike; Al-Lehyani, Ibrahim; Moriarty, John A.

    2000-01-01

    Modeling structural and mechanical properties of intermetallic compounds and alloys requires detailed knowledge of their interatomic interactions. The first two papers of this series [Phys. Rev. B 56, 7905 (1997); 58, 8967 (1998)] derived first-principles interatomic potentials for transition-metal (TM) aluminides using generalized pseudopotential theory (GPT). Those papers focused on binary alloys of aluminum with first-row transition metals and assessed the ability of GPT potentials to reproduce and elucidate the alloy phase diagrams of Al-Co and Al-Ni. This paper addresses the phase diagrams of the binary alloy Al-Cu and the ternary systems Al-Co-Cu and Al-Co-Ni, using GPT pair potentials calculated in the limit of vanishing transition-metal concentration. Despite this highly simplifying approximation, we find rough agreement with the known low-temperature phase diagrams, up to 50% total TM concentration provided the Co fraction is below 25%. Full composition-dependent potentials and many-body interactions would be required to correct deficiencies at higher Co concentration. Outside this troublesome region, the experimentally determined stable and metastable phases all lie on or near the convex hull of a scatter plot of energy versus composition. We verify, qualitatively, reported solubility ranges extending binary alloys into the ternary diagram in both Al-Co-Cu and Al-Co-Ni. Finally, we reproduce previously conjectured transition-metal positions in the decagonal quasicrystal phase. (c) 2000 The American Physical Society

  6. First-principles interatomic potentials for transition-metal aluminides. III. Extension to ternary phase diagrams

    Science.gov (United States)

    Widom, Mike; Al-Lehyani, Ibrahim; Moriarty, John A.

    2000-08-01

    Modeling structural and mechanical properties of intermetallic compounds and alloys requires detailed knowledge of their interatomic interactions. The first two papers of this series [Phys. Rev. B 56, 7905 (1997); 58, 8967 (1998)] derived first-principles interatomic potentials for transition-metal (TM) aluminides using generalized pseudopotential theory (GPT). Those papers focused on binary alloys of aluminum with first-row transition metals and assessed the ability of GPT potentials to reproduce and elucidate the alloy phase diagrams of Al-Co and Al-Ni. This paper addresses the phase diagrams of the binary alloy Al-Cu and the ternary systems Al-Co-Cu and Al-Co-Ni, using GPT pair potentials calculated in the limit of vanishing transition-metal concentration. Despite this highly simplifying approximation, we find rough agreement with the known low-temperature phase diagrams, up to 50% total TM concentration provided the Co fraction is below 25%. Full composition-dependent potentials and many-body interactions would be required to correct deficiencies at higher Co concentration. Outside this troublesome region, the experimentally determined stable and metastable phases all lie on or near the convex hull of a scatter plot of energy versus composition. We verify, qualitatively, reported solubility ranges extending binary alloys into the ternary diagram in both Al-Co-Cu and Al-Co-Ni. Finally, we reproduce previously conjectured transition-metal positions in the decagonal quasicrystal phase.

  7. Microwave-assisted synthesis of transition metal phosphide

    Science.gov (United States)

    Viswanathan, Tito

    2014-12-30

    A method of synthesizing transition metal phosphide. In one embodiment, the method has the steps of preparing a transition metal lignosulfonate, mixing the transition metal lignosulfonate with phosphoric acid to form a mixture, and subjecting the mixture to a microwave radiation for a duration of time effective to obtain a transition metal phosphide.

  8. Gamma rays shielding parameters for white metal alloys

    Science.gov (United States)

    Kaur, Taranjot; Sharma, Jeewan; Singh, Tejbir

    2018-05-01

    In the present study, an attempt has been made to check the feasibility of white metal alloys as gamma rays shielding materials. Different combinations of cadmium, lead, tin and zinc were used to prepare quaternary alloys Pb60Sn20ZnxCd20-x (where x = 5, 10, 15) using melt quench technique. These alloys were also known as white metal alloys because of its shining appearance. The density of prepared alloys has been measured using Archimedes Principle. Gamma rays shielding parameters viz. mass attenuation coefficient (µm), effective atomic number (Zeff), electron density (Nel), Mean free path (mfp), Half value layer (HVL) and Tenth value layer (TVL) has been evaluated for these alloys in the wide energy range from 1 keV to 100 GeV. The WinXCom software has been used for obtaining mass attenuation coefficient values for the prepared alloys in the given energy range. The effective atomic number (Zeff) has been assigned to prepared alloys using atomic to electronic cross section ratio method. Further, the variation of various shielding parameters with photon energy has been investigated for the prepared white metal alloys.

  9. Ductile fracture surface morphology of amorphous metallic alloys

    NARCIS (Netherlands)

    Miskuf, J; Csach, K; Ocelik, [No Value; Bengus, VZ; Tabachnikova, ED; Duhaj, P; Ocelik, Vaclav

    1999-01-01

    Fracture surfaces of ductile failure of two types bulk amorphous metallic alloys were studied using quantitative and qualitative fractographic analysis. The observed fractographic behaviour of ductile failure in comparison with the ductile failure of amorphous alloy ribbons shows signs of the same

  10. Radiation effects on metals, alloys and cement

    International Nuclear Information System (INIS)

    Lucki, G.; Sciani, V.

    1988-12-01

    High - energy particle irradiation of materials brings as a consequence changes in their atomic structures that alter the electrical, magnetic and mechanical properties which are the most important characteristics for practical applications of metals and alloys. A review is made on experimental results of in-pile (IEA-RI reactor) and CV-28 cyclotron irradiated materials. Resistivity measurements on CuPd and FeNi alloys showed different behaviour during fast neutron irradiation. While CuPd had almost coincidental relaxation curves, FeNi presented a distinguishable short and long-range ordering with the critical order-disorder temperature at 515 0 C. Vacancy supersaturation curves of FeNiSi (49-49-2 at %), FeNiCr (49-95-49, 95-0,1 at. %), FeNiMo (50-50 at.% + 50 ppm) and pure FeNi (50-50 at.%), determined by means of the Magnetic After Effect are presented as an effective pre-selection method of nuclear materials before the destructive stage of void formation and swelling. A displacement of damage peak from 480 to 500 and 570 0 C was detected on pure AISI 321 stainless steel and with 0,05 wt.% and 0,10 wt.% of Nb additions by means of resistivity and micro-hardness. Ultrasound techniques applied to fast neutron irradiated portland cement paste (fluence 7,2 x 10 18 n/cm 2 ) showed a 24% decrease in its dynamic elasticity modulus. Helium diffusion on Au, Ag and Al foils irradiated in cyclotron was studied, suggesting a vacancy mechanism for single He atom diffusion. Embrittlement by Alpha particle implantation in cyclotron to simulate in-pile (n,α) reaction-was measured by high temperature creep on AISI 316 stainles steel. (author) [pt

  11. Coefficient of electrical transport vacuum arc for metals and alloys

    International Nuclear Information System (INIS)

    Markov, G.V.; Ehjzner, B.A.

    1998-01-01

    In this article the authors propose formulas for estimation coefficient of electrical transport vacuum arc for metals and alloys. They also represent results of analysis principal physical processes which take place in cathode spot vacuum arc

  12. Ion-beam modification of properties of metals and alloys

    International Nuclear Information System (INIS)

    Khodasevich, V.V.; Uglov, V.V.; Ponaryadov, V.V.; Zhukova, S.I.

    2002-01-01

    Physical fundaments for ion-beam modification and plasma-vacuum synthesis of new types of coatings and compounds in technically important metals and alloys were development as well as corresponding installation and technologies were created. (authors)

  13. Influence of alkali metal hydroxides on corrosion of Zr-based alloys

    International Nuclear Information System (INIS)

    Jeong, Y.H.; Ruhmann, H.; Garzarolli, F.

    1997-01-01

    In this study the influence of group-1 alkali hydroxides on different zirconium based alloys has been evaluated. The experiments have been carried out in small stainless steel autoclaves at 350 deg. C in pressurized 17 MPa water, with in low (0.32 mmol), medium (4.3 mmol) and high (31.5 mmol) equimolar concentrations of Li-, Na-, K-, Rb- and Cs-Hydroxides. Two types of alloys have been investigated: Zr-Sn-(Transition metal) and Zr-Sn-Nb-(Transition metal). The corrosion behaviour was evaluated from weight gain measurements. From the experiments the cation could be identified as the responsible species for zirconium alloy corrosion in alkalized water. The radius of the cation governs the corrosion behaviour in the pre accelerated region of zircaloy corrosion. Incorporating of alkali cations into the zirconium oxide lattice is probably the mechanism which allows the corrosion enhancement for Li and Na and the significantly lower effect for the other bases. Nb containing alloys show lower corrosion resistance than alloys from the Zr-Sn-TRM system in all alkali solutions. Both types of alloys corrode significantly more in LiOH and NaOH than in the other alkali environments. Lowest corrosive aggressiveness has been found for CsOH followed by KOH. Concluding from the corrosion behaviour in the different alkali environments and taking into account the tendency to promote accelerate corrosion, CsOH and KOH are possible alternate alkalis for PWR application. (author). 17 refs, 15 figs, 5 tabs

  14. Influence of alkali metal hydroxides on corrosion of Zr-based alloys

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Y H [Korea Atomic Energy Research Inst., Dae Jun (Korea, Republic of); Ruhmann, H; Garzarolli, F [Siemens-KWU, Power Generation Group, Erlangen (Germany)

    1997-02-01

    In this study the influence of group-1 alkali hydroxides on different zirconium based alloys has been evaluated. The experiments have been carried out in small stainless steel autoclaves at 350 deg. C in pressurized 17 MPa water, with in low (0.32 mmol), medium (4.3 mmol) and high (31.5 mmol) equimolar concentrations of Li-, Na-, K-, Rb- and Cs-Hydroxides. Two types of alloys have been investigated: Zr-Sn-(Transition metal) and Zr-Sn-Nb-(Transition metal). The corrosion behaviour was evaluated from weight gain measurements. From the experiments the cation could be identified as the responsible species for zirconium alloy corrosion in alkalized water. The radius of the cation governs the corrosion behaviour in the pre accelerated region of zircaloy corrosion. Incorporating of alkali cations into the zirconium oxide lattice is probably the mechanism which allows the corrosion enhancement for Li and Na and the significantly lower effect for the other bases. Nb containing alloys show lower corrosion resistance than alloys from the Zr-Sn-TRM system in all alkali solutions. Both types of alloys corrode significantly more in LiOH and NaOH than in the other alkali environments. Lowest corrosive aggressiveness has been found for CsOH followed by KOH. Concluding from the corrosion behaviour in the different alkali environments and taking into account the tendency to promote accelerate corrosion, CsOH and KOH are possible alternate alkalis for PWR application. (author). 17 refs, 15 figs, 5 tabs.

  15. Method for estimating the lattice thermal conductivity of metallic alloys

    International Nuclear Information System (INIS)

    Yarbrough, D.W.; Williams, R.K.

    1978-08-01

    A method is described for calculating the lattice thermal conductivity of alloys as a function of temperature and composition for temperatures above theta/sub D//2 using readily available information about the atomic species present in the alloy. The calculation takes into account phonon interactions with point defects, electrons and other phonons. Comparisons between experimental thermal conductivities (resistivities) and calculated values are discussed for binary alloys of semiconductors, alkali halides and metals. A discussion of the theoretical background is followed by sufficient numerical work to facilitate the calculation of lattice thermal conductivity of an alloy for which no conductivity data exist

  16. Many-Body Potentials For Binary Immiscible liquid Metal Alloys

    International Nuclear Information System (INIS)

    Karaguelle, H.

    2004-01-01

    The modified analytic embedded atom method (MAEAM) type many- body potentials have been constructed for three binary liquid immiscible alloy systems: Al-Pb, Ag-Ni, Ag- Cu. The MAEAM potential functions are fitted to both solid and liquid state properties for only liquid pure metals which consist the immiscible alloy. In order to test the reliability of the constructed MAEAM effective potentials, partial structure factors and pair distribution functions of these binary liquid metal alloys have been calculated using the thermodynamically self-consistent variational modified hypernetted chain (VMHNC) theory of liquids. A good agreement with the available experimental data for structure has

  17. On monosubstituted cyanurate complexes of transition metals

    International Nuclear Information System (INIS)

    Sejfer, G.B.; Tarasova, Z.A.

    1995-01-01

    Complex monosubstituted cyanurates of transition metals K 2 [Eh(H 2 C 3 N 3 O 3 ) 4 ]x4H 2 ) where Eh = Mn, Co, Ni, Cu, Zn, Cd are synthesized and investigated by means of IR - spectroscopy and thermal analysis methods. It is shown that only thermal decomposition of a manganese complex leads to the production of this metal oxide. All other derivatives decompose with the production of a free metal, because decomposition of these substances in argon atmosphere occurs through an intermediate production of their nitrides. An assumption is made that nitroduction of yttrium or rare earth element salts (instead of transition or alkali metal derivatives) as accelerating additions will facilitate increase of polyisocyanurate resin thermal stability. 25 refs.; 2 figs.; 3 tabs

  18. Solubility of hydrogen in transition metals

    International Nuclear Information System (INIS)

    Lee, H.M.

    1976-01-01

    Correlations exist between the heat of solution of hydrogen and the difference in energy between the lowest lying energy levels of the trivalent d/sup n-1/s electronic configuration and the divalent d/sup n-2/s 2 (or the tetravalent d/sup n/) configuration of the neutral gaseous atoms. The trends observed in the transition metal series are discussed in relation to the number of valence electrons per atom in the transition elements in their metallic and neutral states

  19. Determination of hydrogen in metals and alloys

    International Nuclear Information System (INIS)

    Sayi, Y.S.; Ramanjaneyulu, P.S.; Ramakumar, K.L.

    2008-01-01

    Hydrogen will be invariably present in all materials. Its presence in excess is harmful and sometimes calamitous. Hydrogen embrittlement can occur quite readily in most high strength materials, irrespective of their composition or structure. It is therefore essential to maintain low levels of hydrogen. To know the amount of hydrogen present in the materials, it is essential to determine it with high degree of precision and accuracy. It is required to give the uncertainty associated with the measurement to increase the confidence on measurements. Several methodologies are available for the determination of hydrogen. It its isotope, deuterium, also co-exists it becomes all the more difficult to determine these individually. Hot vacuum extraction cum quadrupole mass spectrometry (HVE-QMS) developed in our laboratory to determine hydrogen and deuterium is routinely employed for the determination of hydrogen and deuterium in metals and alloys. The present paper deals in detail about our experiences with HVE-QMS and estimation of uncertainty associated in this methodology. (author)

  20. Defect accumulation behaviour in hcp metals and alloys

    International Nuclear Information System (INIS)

    Woo, C.H.

    2000-01-01

    The effects of displacement damage on the physical and mechanical properties of metals and alloys, caused by the bombardment of energetic particles, have been investigated for several decades. Besides the obvious technical and industrial implications, an important motive of such investigations is to understand the factors that differentiate the response of different metals under different irradiation conditions. Recently, much interest is shown in the possible effects of the crystal lattice structure on variations in the damage accumulation behaviour of metals and alloys. In this paper we focus on the case of metals and alloys that crystallize in the hexagonal close pack (hcp) structure, and describe recent understanding of the damage production, accumulation and its consequences in these metals

  1. Gravimetric determination of beryllium in the presence of transition metals

    International Nuclear Information System (INIS)

    Morozova, S.S.; Nikitina, L.V.; Dyatlova, N.M.; Serebryakova, G.V.; Vol'nyagina, A.N.

    1976-01-01

    A new organic reagent, nitrolotrimethylphosphonic acid (H 6 L), is proposed for gravimetric determination of beryllium. This complexone forms with Be hardly soluble complexes in a wide pH range. The separated complex has a composition Be 5 (HL) 2 x10H 2 O. To elucidate the possibility of determining Be in the presence of transition metals, often accompanying beryllium in alloys, interaction of cations of these metals with H 6 L at different pH has been studied potentiometrically. It has been established that at pH=1.1 in the presence of masking reagent (diethylentriaminopentacetic acid) Be can be determined when zinc, copper, chromium, cobalt, nickel, iron, manganese and cadmium are present. Gravimetric method of determining Be with the help of H 6 L has been developed. The weight form is obtained by drying the precipitate which reduces considerably the time of analysis and the error of determination

  2. Tunable hydrogen storage in magnesium-transition metal compounds: first-principles calculations

    NARCIS (Netherlands)

    Er, S.; Tiwari, Dhirendra; Tiwari, D.; de Wijs, Gilles A.; Brocks, G.

    2009-01-01

    Magnesium dihydride (MgH2) stores 7.7 wt % hydrogen but it suffers from a high thermodynamic stability and slow (de)hydrogenation kinetics. Alloying Mg with lightweight transition metals (TM) (=Sc,Ti,V,Cr) aims at improving the thermodynamic and kinetic properties. We study the structure and

  3. The status and immediate problems of the chemistry of transition metal hydrides

    International Nuclear Information System (INIS)

    Meikheeva, V.I.

    1978-01-01

    The state of the art and perspectives of the chemistry transition metal hydrides are reviewed, the hydrides being essentially compounds with interstitial hydrogen in the crystal lattice of the metals. The possibilities of hydrogenation of transition metals are considered along with that of compounds of rare earth elements with metals of the iron family. It is shown that the products of hydrogenation of many alloys are unstable and disintegrate forming simpler hydrides. The phase diagram of La-Ni-H system resembles the isotherm of a ternary metal system with the difference that no continuous series of solid solutions is formed. Most hydrogenation products across LaHsub(2-3)-NiH are X-ray amorphous. The nature of hydrogen in hydrides is discussed along with the possibilities of synthesis of new hydrides of transition metals

  4. Spin-exchange interaction between transition metals and metalloids in soft-ferromagnetic metallic glasses

    Science.gov (United States)

    Das, Santanu; Choudhary, Kamal; Chernatynskiy, Aleksandr; Choi Yim, Haein; Bandyopadhyay, Asis K.; Mukherjee, Sundeep

    2016-06-01

    High-performance magnetic materials have immense industrial and scientific importance in wide-ranging electronic, electromechanical, and medical device technologies. Metallic glasses with a fully amorphous structure are particularly suited for advanced soft-magnetic applications. However, fundamental scientific understanding is lacking for the spin-exchange interaction between metal and metalloid atoms, which typically constitute a metallic glass. Using an integrated experimental and molecular dynamics approach, we demonstrate the mechanism of electron interaction between transition metals and metalloids. Spin-exchange interactions were investigated for a Fe-Co metallic glass system of composition [(Co1-x Fe x )0.75B0.2Si0.05]96Cr4. The saturation magnetization increased with higher Fe concentration, but the trend significantly deviated from simple rule of mixtures. Ab initio molecular dynamics simulation was used to identify the ferromagnetic/anti-ferromagnetic interaction between the transition metals and metalloids. The overlapping band-structure and density of states represent ‘Stoner type’ magnetization for the amorphous alloys in contrast to ‘Heisenberg type’ in crystalline iron. The enhancement of magnetization by increasing iron was attributed to the interaction between Fe 3d and B 2p bands, which was further validated by valence-band study.

  5. Magnetic Ground State Properties of Transition Metals

    DEFF Research Database (Denmark)

    Andersen, O. K.; Madsen, J.; Poulsen, U. K.

    1977-01-01

    We review a simple one-electron theory of the magnetic and cohesive properties of ferro- and nearly ferromagnetic transition metals at 0 K. The theory is based on the density functional formalism, it makes use of the local spin density and atomic sphere approximations and it may, with further app...

  6. Local Chemical Reactivity of a Metal Alloy Surface

    DEFF Research Database (Denmark)

    Hammer, Bjørk; Scheffler, Matthias

    1995-01-01

    The chemical reactivity of a metal alloy surface is studied by density functional theory investigating the interaction of H2 with NiAl(110). The energy barrier for H2 dissociation is largely different over the Al and Ni sites without, however, reflecting the barriers over the single component metal...

  7. Mesoporous Transition Metal Oxides for Supercapacitors.

    Science.gov (United States)

    Wang, Yan; Guo, Jin; Wang, Tingfeng; Shao, Junfeng; Wang, Dong; Yang, Ying-Wei

    2015-10-14

    Recently, transition metal oxides, such as ruthenium oxide (RuO₂), manganese dioxide (MnO₂), nickel oxides (NiO) and cobalt oxide (Co₃O₄), have been widely investigated as electrode materials for pseudo-capacitors. In particular, these metal oxides with mesoporous structures have become very hot nanomaterials in the field of supercapacitors owing to their large specific surface areas and suitable pore size distributions. The high specific capacities of these mesoporous metal oxides are resulted from the effective contacts between electrode materials and electrolytes as well as fast transportation of ions and electrons in the bulk of electrode and at the interface of electrode and electrolyte. During the past decade, many achievements on mesoporous transition metal oxides have been made. In this mini-review, we select several typical nanomaterials, such as RuO₂, MnO₂, NiO, Co₃O₄ and nickel cobaltite (NiCo₂O₄), and briefly summarize the recent research progress of these mesoporous transition metal oxides-based electrodes in the field of supercapacitors.

  8. Mesoporous Transition Metal Oxides for Supercapacitors

    Science.gov (United States)

    Wang, Yan; Guo, Jin; Wang, Tingfeng; Shao, Junfeng; Wang, Dong; Yang, Ying-Wei

    2015-01-01

    Recently, transition metal oxides, such as ruthenium oxide (RuO2), manganese dioxide (MnO2), nickel oxides (NiO) and cobalt oxide (Co3O4), have been widely investigated as electrode materials for pseudo-capacitors. In particular, these metal oxides with mesoporous structures have become very hot nanomaterials in the field of supercapacitors owing to their large specific surface areas and suitable pore size distributions. The high specific capacities of these mesoporous metal oxides are resulted from the effective contacts between electrode materials and electrolytes as well as fast transportation of ions and electrons in the bulk of electrode and at the interface of electrode and electrolyte. During the past decade, many achievements on mesoporous transition metal oxides have been made. In this mini-review, we select several typical nanomaterials, such as RuO2, MnO2, NiO, Co3O4 and nickel cobaltite (NiCo2O4), and briefly summarize the recent research progress of these mesoporous transition metal oxides-based electrodes in the field of supercapacitors. PMID:28347088

  9. Mesoporous Transition Metal Oxides for Supercapacitors

    Directory of Open Access Journals (Sweden)

    Yan Wang

    2015-10-01

    Full Text Available Recently, transition metal oxides, such as ruthenium oxide (RuO2, manganese dioxide (MnO2, nickel oxides (NiO and cobalt oxide (Co3O4, have been widely investigated as electrode materials for pseudo-capacitors. In particular, these metal oxides with mesoporous structures have become very hot nanomaterials in the field of supercapacitors owing to their large specific surface areas and suitable pore size distributions. The high specific capacities of these mesoporous metal oxides are resulted from the effective contacts between electrode materials and electrolytes as well as fast transportation of ions and electrons in the bulk of electrode and at the interface of electrode and electrolyte. During the past decade, many achievements on mesoporous transition metal oxides have been made. In this mini-review, we select several typical nanomaterials, such as RuO2, MnO2, NiO, Co3O4 and nickel cobaltite (NiCo2O4, and briefly summarize the recent research progress of these mesoporous transition metal oxides-based electrodes in the field of supercapacitors.

  10. Early stage crystallization kinetics in metallic glass-forming alloys

    International Nuclear Information System (INIS)

    Louzguine-Luzgin, Dmitri V.

    2014-01-01

    Highlights: • Heterogeneous nucleation may precede the homogeneous one in an alloy. • High kinetic constants and the nucleation rate at the initial stage. • Metallic glasses have heterogeneous nucleation sites which saturate later. -- Abstract: The crystallization kinetics and structural changes of a few metallic glassy alloys were monitored using X-ray diffraction, transmission electron microscopy, differential scanning and isothermal calorimetry methods. Microstructural observations were used to estimate the nucleation and growth rates. A clear comparison of the differences in the crystallization kinetics in the metallic glassy samples is observed at the early and later crystallization stages

  11. Mechanisms of diffusional phase transformations in metals and alloys

    CERN Document Server

    Aaronson, Hubert I; Lee, Jong K

    2010-01-01

    Developed by the late metallurgy professor and master experimentalist Hubert I. Aaronson, this collection of lecture notes details the fundamental principles of phase transformations in metals and alloys upon which steel and other metals industries are based. Mechanisms of Diffusional Phase Transformations in Metals and Alloys is devoted to solid-solid phase transformations in which elementary atomic processes are diffusional jumps, and these processes occur in a series of so-called nucleation and growth through interface migration. Instead of relying strictly on a pedagogical approach, it doc

  12. Nickel-titanium alloys: stress-related temperature transitional range.

    Science.gov (United States)

    Santoro, M; Beshers, D N

    2000-12-01

    The inducement of mechanical stress within nickel-titanium wires can influence the transitional temperature range of the alloy and therefore the expression of the superelastic properties. An analogous variation of the transitional temperature range may be expected during orthodontic therapy, when the archwires are engaged into the brackets. To investigate this possibility, samples of currently used orthodontic nickel-titanium wires (Sentalloy, GAC; Copper Ni-Ti superelastic at 27 degrees C, 35 degrees C, 40 degrees C, Ormco; Nitinol Heat-Activated, 3M-Unitek) were subjected to temperature cycles ranging between 4 degrees C and 60 degrees C. The wires were mounted in a plexiglass loading device designed to simulate clinical situations of minimum and severe dental crowding. Electrical resistivity was used to monitor the phase transformations. The data were analyzed with paired t tests. The results confirmed the presence of displacements of the transitional temperature ranges toward higher temperatures when stress was induced. Because nickel-titanium wires are most commonly used during the aligning stage in cases of severe dental crowding, particular attention was given to the performance of the orthodontic wires under maximum loading. An alloy with a stress-related transitional temperature range corresponding to the fluctuations of the oral temperature should express superelastic properties more consistently than others. According to our results, Copper Ni-Ti 27 degrees C and Nitinol Heat-Activated wires may be considered suitable alloys for the alignment stage.

  13. Metal - Insulator Transition Driven by Vacancy Ordering in GeSbTe Phase Change Materials

    OpenAIRE

    Bragaglia, Valeria; Arciprete, Fabrizio; Privitera, Stefania; Rimini, Emanuele; Mazzarello, Riccardo; Calarco, Raffaella; Zhang, Wei; Mio, Antonio Massimiliano; Zallo, Eugenio; Perumal, Karthick; Giussani, Alessandro; Cecchi, Stefano; Boschker, Jos Emiel; Riechert, Henning

    2016-01-01

    Phase Change Materials (PCMs) are unique compounds employed in non-volatile random access memory thanks to the rapid and reversible transformation between the amorphous and crystalline state that display large differences in electrical and optical properties. In addition to the amorphous-to-crystalline transition, experimental results on polycrystalline GeSbTe alloys (GST) films evidenced a Metal-Insulator Transition (MIT) attributed to disorder in the crystalline phase. Here we report on a f...

  14. Directional and short-range ordering kinetics in metallic alloys, crystalline and amorphous

    International Nuclear Information System (INIS)

    Hillairet, J.

    1985-01-01

    This presentation describes the methods (resistometric and anelastic) based on analysis of stress-induced directional ordering and short-range ordering and their application to the study of metallic alloys, crystalline and amorphous. It focuses on the determination of the atomic mobility and point defect properties. It discusses also the structural information which can be gained by Zener relaxation studies about the order-disorder transition and self-induced directional ordering phenomena

  15. First-row transition metal hydrogenation and hydrosilylation catalysts

    Science.gov (United States)

    Trovitch, Ryan J.; Mukhopadhyay, Tufan K.; Pal, Raja; Levin, Hagit Ben-Daat; Porter, Tyler M.; Ghosh, Chandrani

    2017-07-18

    Transition metal compounds, and specifically transition metal compounds having a tetradentate and/or pentadentate supporting ligand are described, together with methods for the preparation thereof and the use of such compounds as hydrogenation and/or hydrosilylation catalysts.

  16. Room temperature creep in metals and alloys

    Energy Technology Data Exchange (ETDEWEB)

    Deibler, Lisa Anne [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Materials Characterization and Performance

    2014-09-01

    Time dependent deformation in the form of creep and stress relaxation is not often considered a factor when designing structural alloy parts for use at room temperature. However, creep and stress relaxation do occur at room temperature (0.09-0.21 Tm for alloys in this report) in structural alloys. This report will summarize the available literature on room temperature creep, present creep data collected on various structural alloys, and finally compare the acquired data to equations used in the literature to model creep behavior. Based on evidence from the literature and fitting of various equations, the mechanism which causes room temperature creep is found to include dislocation generation as well as exhaustion.

  17. Phase distribution studies in metallic alloy SIMFUEL

    International Nuclear Information System (INIS)

    Kolay, S.; Basu, M.; Kaity, S.; Das, D.

    2014-01-01

    Utilization of U-Pu based alloy fuel in the three stage nuclear power generation program in India is one of the important mandate due to shorter doubling time for breeding of the fissile isotopes ( 239 Pu and 233 U) to be used in Th based driver fuel in the 3rd stage. Reported information shows successful performance of fuel with porous alloy matrix in achieving 10-15 atom % burn-up. The porosity and microstructure of this alloy are strongly dependent on the composition and phases of the fission products incorporated in the matrix. The porosity influences the extent of fuel swelling and fission gas release, which affects the performance and integrity of the fuel. This study addresses to these issues taking the base alloy U-10wt% Zr

  18. Electrical resistivity of liquid noble metal alloys

    International Nuclear Information System (INIS)

    Anis Alam, M.; Tomak, M.

    1983-08-01

    Calculations of the dependence of the electrical resistivity in liquid Ag-Au, Cu-Ag, Cu-Au binary alloys on composition are reported. The structure of the binary alloy is described as a hard sphere system. A one-parameter local pseudopotential, which incorporates s-d hybridization effects phenomenologically, is employed in the resistivity calculation. A reasonable agreement with experimental trends is observed in cases where experimental information is available. (author)

  19. Magnetic properties of metals and alloys

    International Nuclear Information System (INIS)

    Lyuborskij, F.E.; Livingston, D.D.; Chin, Zh.I.

    1987-01-01

    The nature of magnetic properties of materials and their dependence on the composition and the material structure are described. Properties and application of such materials as the alloys of the Fe-Ni-Co, Fe-Cr-Co, Co-rare earth, Fe-Si, Ni-Se system are considered. Application outlook for amorphous alloys of the (Fe, Ni, Co) 80 (metalloid) 20 type is shown. Methods for magnetic property measurement are pointed out

  20. Making the semiconductor-metal transition in a growth-dominant phase-change alloy InSb for double density blu-ray super-RENS-ROM disc

    Energy Technology Data Exchange (ETDEWEB)

    Hyot, Berangere [CEA, LETI, MINATEC, F- 38054 Grenoble (France)

    2012-10-15

    Phenomenologically, a semiconductor-metal transition is characterized by a sudden change in electrical properties but also in optical behaviours, as a consequence of a change in electron behaviour. The ability to induce a reversible semiconductor-metal transition in a material by varying conditions such as applied temperature or electrical field, results in attractive changes in properties that have fuelled the curiosity of scientists. In this paper, we discuss the interest of such materials exhibiting the reversible semiconductor-metal transition in the development of the next generation of optical Bly-ray discs (BD), the so-called super-resolution near field structure (super-RENS) discs and we show that InSb semiconductor material exhibits huge variations of its optical properties during the optically (thermally)-induced solid-to-liquid change corresponding to a semiconductor-metal transition. First success in the video playback on HDTV (High Definition TeleVision) display from 50 GB (BD capacity x 2) InSb-based super-RENS-ROM discs including a high definition video content with 1920 x 1080 pixels was realized in September 2009 by the super-RENS consortium joining three partners: AIST (National Institute of Advanced Industrial Science and Technology), Mitsubishi Electric Co. and LETI. Snapshot of high definition video content from InSb-based super-RENS-ROM disc corresponding to 50 GB per layer (BD capacity x 2) displayed on HDTV. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  1. Fatigue Characterization of Functionally Graded Metallic Alloys

    International Nuclear Information System (INIS)

    Silva, F. S.

    2008-01-01

    Functionally graded components exhibit spatial variations of mechanical properties in contrast with, and as an alternative to, purely homogeneous components. A large class of graded materials, however, are in fact mostly homogeneous materials with property variations (chemical or mechanical) restricted to a specific area or layer produced by applying for example a coating or by introducing sub-surface residual stresses. However, it is also possible to obtain graded materials with a smooth transition of mechanical properties along the entire component, for example in a 40 mm component. This is possible, for example, by using centrifugal casting technique or incremental melting and solidification technique. In this paper we will study fully metallic functionally graded components with a smooth gradient, focusing on fatigue crack propagation. Fatigue propagation will be assessed in the direction parallel to the gradation (in different homogeneous layers of the functionally graded component) to assess what would be fatigue crack propagation on the direction perpendicular to the gradation. Fatigue crack growth rate (standard mode I fatigue crack growth) will be correlated to the mode I stress intensity factor range. Other mechanical properties of different layers of the component (Young's modulus) will also be considered in this analysis. The effect of residual stresses along the component gradation on crack propagation will also be taken into account. A qualitative analysis of the effects of some important features, present in functionally graded materials, will be made based on the obtained results

  2. Fundamentals of radiation materials science metals and alloys

    CERN Document Server

    Was, Gary S

    2017-01-01

    The revised second edition of this established text offers readers a significantly expanded introduction to the effects of radiation on metals and alloys. It describes the various processes that occur when energetic particles strike a solid, inducing changes to the physical and mechanical properties of the material. Specifically it covers particle interaction with the metals and alloys used in nuclear reactor cores and hence subject to intense radiation fields. It describes the basics of particle-atom interaction for a range of particle types, the amount and spatial extent of the resulting radiation damage, the physical effects of irradiation and the changes in mechanical behavior of irradiated metals and alloys. Updated throughout, some major enhancements for the new edition include improved treatment of low- and intermediate-energy elastic collisions and stopping power, expanded sections on molecular dynamics and kinetic Monte Carlo methodologies describing collision cascade evolution, new treatment of t...

  3. Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

    DEFF Research Database (Denmark)

    Hummelshøj, Jens Strabo; Landis, David; Voss, Johannes

    2009-01-01

    We present a computational screening study of ternary metal borohydrides for reversible hydrogen storage based on density functional theory. We investigate the stability and decomposition of alloys containing 1 alkali metal atom, Li, Na, or K (M1); and 1 alkali, alkaline earth or 3d/4d transition...

  4. (Electronic structure and reactivities of transition metal clusters)

    Energy Technology Data Exchange (ETDEWEB)

    1992-01-01

    The following are reported: theoretical calculations (configuration interaction, relativistic effective core potentials, polyatomics, CASSCF); proposed theoretical studies (clusters of Cu, Ag, Au, Ni, Pt, Pd, Rh, Ir, Os, Ru; transition metal cluster ions; transition metal carbide clusters; bimetallic mixed transition metal clusters); reactivity studies on transition metal clusters (reactivity with H{sub 2}, C{sub 2}H{sub 4}, hydrocarbons; NO and CO chemisorption on surfaces). Computer facilities and codes to be used, are described. 192 refs, 13 figs.

  5. Corrosion-electrochemical and mechanical properties of aluminium-berylium alloys alloyed by rare-earth metals

    International Nuclear Information System (INIS)

    Safarov, A.M.; Odinaev, Kh.E.; Shukroev, M.Sh.; Saidov, R.Kh.

    1997-01-01

    In order to study influence of rare earth metals on corrosion-electrochemical and mechanical properties of aluminium-berylium alloys the alloys contain 1 mass % beryllium and different amount of rare earth metals were obtained.-electrochemical and mechanical properties of aluminium-berylium alloys. The electrochemical characteristics of obtained alloys, including stationary potential, potentials of passivation beginning and full passivation, potentials of pitting formation and re passivation were defined.

  6. Hydrogen as a New Alloying Element in Metals

    International Nuclear Information System (INIS)

    Shapovalov, Vladimir

    1999-01-01

    Hydrogen was regarded as a harmful impurity in many alloys and particularly in steels where it gives rise to a specific type of embrittlement and forms various discontinuities like flakes and blowholes. For this reason, the researcher efforts were mainly focused on eliminating hydrogen's negative impacts and explaining its uncommonly high diffusivity in condensed phases. Meanwhile, positive characteristics of hydrogen as an alloying element remained unknown for quite a long time. Initial reports in this field did not appear before the early 1970s. Data on new phase diagrams are given for metal-hydrogen systems where the metal may or may not form hydrides. Various kinds of hydrogen impact on structure formation in solidification, melting and solid-solid transformations are covered. Special attention is given to the most popular alloys based on iron, aluminum, copper, nickel, magnesium and titanium. Detailed is what is called gas-eutectic reaction resulting in a special type of gas-solid structure named gasarite. Properties and applications of gasars - gasaritic porous materials - are dealt with. Various versions of solid-state alloying with hydrogen are discussed that change physical properties and fabrication characteristics of metals. Details are given on a unique phenomenon of anomalous spontaneous deformation due to combination of hydrogen environment and polymorphic transformation. All currently known versions of alloying with hydrogen are categorized for both hydride-forming and non-hydrid forming metals

  7. Metallic ion release from biocompatible cobalt-based alloy

    Directory of Open Access Journals (Sweden)

    Dimić Ivana D.

    2014-01-01

    Full Text Available Metallic biomaterials, which are mainly used for the damaged hard tissue replacements, are materials with high strength, excellent toughness and good wear resistance. The disadvantages of metals as implant materials are their susceptibility to corrosion, the elastic modulus mismatch between metals and human hard tissues, relatively high density and metallic ion release which can cause serious health problems. The aim of this study was to examine metallic ion release from Co-Cr-Mo alloy in artificial saliva. In that purpose, alloy samples were immersed into artificial saliva with different pH values (4.0, 5.5 and 7.5. After a certain immersion period (1, 3 and 6 weeks the concentrations of released ions were determined using Inductively Coupled Plasma - Mass Spectrophotometer (ICP-MS. The research findings were used in order to define the dependence between the concentration of released metallic ions, artificial saliva pH values and immersion time. The determined released metallic ions concentrations were compared with literature data in order to describe and better understand the phenomenon of metallic ion release from the biocompatible cobalt-based alloy. [Projekat Ministarstva nauke Republike Srbije, br. III 46010 i br. ON 174004

  8. Rare-earth metal transition metal borocarbide and nitridoborate superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Niewa, Rainer; Shlyk, Larysa; Blaschkowski, Bjoern [Stuttgart Univ. (Germany). Inst. fuer Anorganische Chemie

    2011-07-01

    Few years after the discovery of superconductivity in high-T{sub c} cuprates, borocarbides and shortly after nitridoborates with reasonably high T{sub c}s up to about 23 K attracted considerable attention. Particularly for the rare-earth metal series with composition RNi{sub 2}[B{sub 2}C] it turned out, that several members exhibit superconductivity next to magnetic order with both T{sub c} above or below the magnetic ordering temperature. Therefore, these compounds have been regarded as ideal materials to study the interplay and coexistence of superconductivity and long range magnetic order, due to their comparably high ordering temperatures and similar magnetic and superconducting condensation energies. This review gathers information on the series RNi{sub 2}[B{sub 2}C] and isostructural compounds with different transition metals substituting Ni as well as related series like RM[BC], RM[BN], AM[BN] and R{sub 3}M{sub 2}[BN]{sub 2}N (all with R = rare-earth metal, A = alkaline-earth metal, M = transition metal) with special focus on synthesis, crystal structures and structural trends in correspondence to physical properties. (orig.)

  9. The phosphorus and the transition metals chemistry

    International Nuclear Information System (INIS)

    Mathey, F.

    1988-01-01

    The 1988 progress report, concerning the Polytechnic School unit (France), which studies the phosphorus and the transition metals chemistry, is presented. The laboratory activities are related to the following topics: the phosporus heterocyclic chemistry, the phosphorus-carbon double bonds chemistry, the new transition metals phosphorus compounds, the phosphonates and their uses. Some practical applications of homogeneous catalysis and new materials synthesis are investigated. The main results obtained are: the discovery of the tetra-phosphafulvalenes, the utilization of a new synthesis method of the phosphorus-carbon double bonds and the stabilization of the α-phosphonyled carbanions by the lithium diisopropylamidourea. The papers, the congress communications and the thesis are also shown [fr

  10. Spin-Orbitronics at Transition Metal Interfaces

    KAUST Repository

    Manchon, Aurelien

    2017-11-09

    The presence of large spin–orbit interaction at transition metal interfaces enables the emergence of a variety of fascinating phenomena that have been at the forefront of spintronics research in the past 10 years. The objective of the present chapter is to offer a review of these various effects from a theoretical perspective, with a particular focus on spin transport, chiral magnetism, and their interplay. After a brief description of the orbital hybridization scheme at transition metal interfaces, we address the impact of spin–orbit coupling on the interfacial magnetic configuration, through the celebrated Dzyaloshinskii–Moriya interaction. We then discuss the physics of spin transport and subsequent torques occurring at these interfaces. We particularly address the spin Hall, spin swapping, and inverse spin-galvanic effects. Finally, the interplay between flowing charges and chiral magnetic textures and their induced dynamics are presented. We conclude this chapter by proposing some perspectives on promising research directions.

  11. Lattice Location of Transition Metals in Semiconductors

    CERN Multimedia

    2002-01-01

    %IS366 %title\\\\ \\\\Transition metals (TMs) in semiconductors have been the subject of considerable research for nearly 40 years. This is due both to their role as important model impurities for deep centers in semiconductors, and to their technological impact as widespread contaminants in Si processing, where the miniaturization of devices requires to keep their sheet concentration below 10$^{10}$ cm$^{-2}$. As a consequence of the low TM solubility, conventional ion beam methods for direct lattice location have failed completely in identifying the lattice sites of isolated transition metals. Although electron paramagnetic resonance (EPR) has yielded valuable information on a variety of TM centers, it has been unable to detect certain defects considered by theory, e.g., isolated interstitial or substitutional Cu in Si. The proposed identity of other EPR centers such as substitutional Fe in Si, still needs confirmation by additional experimental methods. As a consequence, the knowledge on the structural propert...

  12. Spin-Orbitronics at Transition Metal Interfaces

    KAUST Repository

    Manchon, Aurelien; Belabbes, Abderrezak

    2017-01-01

    The presence of large spin–orbit interaction at transition metal interfaces enables the emergence of a variety of fascinating phenomena that have been at the forefront of spintronics research in the past 10 years. The objective of the present chapter is to offer a review of these various effects from a theoretical perspective, with a particular focus on spin transport, chiral magnetism, and their interplay. After a brief description of the orbital hybridization scheme at transition metal interfaces, we address the impact of spin–orbit coupling on the interfacial magnetic configuration, through the celebrated Dzyaloshinskii–Moriya interaction. We then discuss the physics of spin transport and subsequent torques occurring at these interfaces. We particularly address the spin Hall, spin swapping, and inverse spin-galvanic effects. Finally, the interplay between flowing charges and chiral magnetic textures and their induced dynamics are presented. We conclude this chapter by proposing some perspectives on promising research directions.

  13. Synchrotron radiation studies of local structure and bonding in transition metal aluminides and rare earth transition metal magnetic nitrides. Final report, August 1, 1990--July 14, 1993

    International Nuclear Information System (INIS)

    Budnick, J.I.; Pease, D.M.

    1995-01-01

    The following areas of study are reported on: bonding and near neighbor force constants in NiAl, CoAl, FeAl via temperature dependent EXAFS; alloys formed when Fe or Ga is microalloyed into a NiAl matrix; EXAFS studies of nitrided versus non nitrided Y 2 Fe 17 ; and transition metal x-ray spectra as related to magnetic moments

  14. Acoustic emission analysis coupled with thermogravimetric experiments dedicated to high temperature corrosion studies on metallic alloys

    International Nuclear Information System (INIS)

    Serris, Eric; Al Haj, Omar; Peres, Veronique; Cournil, Michel; Kittel, Jean; Grosjean, Francois; Ropital, Francois

    2014-01-01

    High temperature corrosion of metallic alloys (like iron, nickel, zirconium alloys) can damage equipment of many industrial fields (refinery, petrochemical, nuclear..). Acoustic emission (AE) is an interesting method owing to its sensitivity and its non-destructive aspect to quantify the level of damage in use of these alloys under various environmental conditions. High temperature corrosive phenomena create stresses in the materials; the relaxation by cracks of these stresses can be recorded and analyzed using the AE system. The goal of our study is to establish an acoustic signals database which assigns the acoustic signals to the specific corrosion phenomena. For this purpose, thermogravimetric analysis (TGA) is coupled with acoustic emission (AE) devices. The oxidation of a zirconium alloy, zircaloy-4, is first studied using thermogravimetric experiment coupled to acoustic emission analysis at 900 C. An inward zirconium oxide scale, preliminary dense, then porous, grow during the isothermal isobaric step. The kinetic rate increases significantly after a kinetic transition (breakaway). This acceleration occurs with an increase of acoustic emission activity. Most of the acoustic emission bursts are recorded after the kinetic transition. Acoustic emission signals are also observed during the cooling of the sample. AE numerical treatments (using wavelet transform) completed by SEM microscopy characterizations allows us to distinguish the different populations of cracks. Metal dusting represents also a severe form of corrosive degradation of metal alloy. Iron metal dusting corrosion is studied by AE coupled with TGA at 650 C under C 4 H 10 + H 2 + He atmosphere. Acoustic emission signals are detected after a significant increase of the sample mass.

  15. Adsorbate Diffusion on Transition Metal Nanoparticles

    Science.gov (United States)

    2015-01-01

    correlation is a Bronsted-Evans-Polanyi ( BEP )- type of correlation, similar to other BEP correlations established earlier for surface-catalyzed bond- breaking...bond-making reactions.6-9 The universal BEP -type correlation is independent of the nature of the adsorbed species and that of the metal surface. For...a certain class of surface-catalyzed reactions, the existence of a BEP -type correlation reflects a similarity between the geometry of the transition

  16. Elementary characterization of Ti metal alloys used in implant dentistry

    Energy Technology Data Exchange (ETDEWEB)

    Torres, Catarina A. M. P.; Paschuk, Sergei A.; Rocha, Anna S. S.; Corrêa, Janine Nicolosi [Universidade Tecnologica Federal do Parana (UTFPR), Curitiba, PR (Brazil); Deniak, Valeriy [Instituto de Pesquisa Pelé Pequeno Príncipe, Curitiba, PR (Brazil); Camargo, Liliane [Universidade Paranaense, Umuarama, PR (Brazil); Assis, J.T, E-mail: cata-montenegro@bol.com.br, E-mail: spaschuk@gmail.com, E-mail: denyak@gmail.com, E-mail: lili_camargo2@hotmail.com, E-mail: joaquim@iprj.uerj.br [Universidade do Estado do Rio de Janeiro (UERJ), Nova Friburgo, RJ (Brazil)

    2017-07-01

    The main goal of present work is analytical characterization of standard dental implants broadly used by Brazilian dentists. An ideal biological alloy for dental implants must have very high biocompatibility, which means that such material should not provoke any serious adverse tissue response. Dental implants are generally marketed as commercially pure titanium (TiCP) due to their excellent mechanical and physical properties. However, sometimes other alloys are employed and consequently it is essential to study the chemical elements present in those alloys that could bring prejudice for the health. Present work investigated TiCP metal alloys used for dental implant manufacturing and evaluated the presence of elements. For alloy characterization and identification of elements it was used EDXRF technique. This method allows to perform the qualitative and quantitative analysis of the materials using the spectra of the characteristic X-rays emitted by the elements present in the metal samples. The experimental setup was based on two X- ray tubes, Mini X model with Ag and Au targets and X-123SDD detector (AMPTEK) and a 0.5 mm Cu collimator, developed due to specific sample geometrical and topography characteristics. Obtained results showed that implant alloys are not exactly TiCP but were manufactured using Ti-Al-V alloy, which contained Fe, Ni, Cu and Zn. The presence of such metals as Al and V in all studied samples shows very clear that studied implants were not manufactured from TiCP alloy. Moreover, according to the American Society for Testing and Materials (ASTM), these elements should not be present in TiCP. (author)

  17. Elementary characterization of Ti metal alloys used in implant dentistry

    International Nuclear Information System (INIS)

    Torres, Catarina A. M. P.; Paschuk, Sergei A.; Rocha, Anna S. S.; Corrêa, Janine Nicolosi; Deniak, Valeriy; Camargo, Liliane; Assis, J.T

    2017-01-01

    The main goal of present work is analytical characterization of standard dental implants broadly used by Brazilian dentists. An ideal biological alloy for dental implants must have very high biocompatibility, which means that such material should not provoke any serious adverse tissue response. Dental implants are generally marketed as commercially pure titanium (TiCP) due to their excellent mechanical and physical properties. However, sometimes other alloys are employed and consequently it is essential to study the chemical elements present in those alloys that could bring prejudice for the health. Present work investigated TiCP metal alloys used for dental implant manufacturing and evaluated the presence of elements. For alloy characterization and identification of elements it was used EDXRF technique. This method allows to perform the qualitative and quantitative analysis of the materials using the spectra of the characteristic X-rays emitted by the elements present in the metal samples. The experimental setup was based on two X- ray tubes, Mini X model with Ag and Au targets and X-123SDD detector (AMPTEK) and a 0.5 mm Cu collimator, developed due to specific sample geometrical and topography characteristics. Obtained results showed that implant alloys are not exactly TiCP but were manufactured using Ti-Al-V alloy, which contained Fe, Ni, Cu and Zn. The presence of such metals as Al and V in all studied samples shows very clear that studied implants were not manufactured from TiCP alloy. Moreover, according to the American Society for Testing and Materials (ASTM), these elements should not be present in TiCP. (author)

  18. Defect-Tolerant Monolayer Transition Metal Dichalcogenides

    DEFF Research Database (Denmark)

    Pandey, Mohnish; Rasmussen, Filip Anselm; Kuhar, Korina

    2016-01-01

    Localized electronic states formed inside the band gap of a semiconductor due to crystal defects can be detrimental to the material's optoelectronic properties. Semiconductors with a lower tendency to form defect induced deep gap states are termed defect-tolerant. Here we provide a systematic first...... the gap. These ideas are made quantitative by introducing a descriptor that measures the degree of similarity of the conduction and valence band manifolds. Finally, the study is generalized to nonpolar nanoribbons of the TMDs where we find that only the defect sensitive materials form edge states within......-principles investigation of defect tolerance in 29 monolayer transition metal dichalcogenides (TMDs) of interest for nanoscale optoelectronics. We find that the TMDs based on group VI and X metals form deep gap states upon creation of a chalcogen (S, Se, Te) vacancy, while the TMDs based on group IV metals form only...

  19. Electronic structure of hcp transition metals

    DEFF Research Database (Denmark)

    Jepsen, O.; Andersen, O. Krogh; Mackintosh, A. R.

    1975-01-01

    Using the linear muffin-tin-orbital method described in the previous paper, we have calculated the electronic structures of the hcp transition metals, Zr, Hf, Ru, and Os. We show how the band structures of these metals may be synthesized from the sp and d bands, and illustrate the effects...... of hybridization, relativistic band shifts, and spin-orbit coupling by the example of Os. By making use of parameters derived from the muffin-tin potential, we discuss trends in the positions and widths of the energy bands, especially the d bands, as a function of the location in the periodic table. The densities...... of states of the four metals are presented, and the calculated heat capacities compared with experiment. The Fermi surfaces of both Ru and Os are found to be in excellent quantitative agreement with de Haas-van Alphen measurements, indicating that the calculated d-band position is misplaced by less than 10...

  20. Electromagnetic Characterization Of Metallic Sensory Alloy

    Science.gov (United States)

    Wincheski, Russell A.; Simpson, John; Wallace, Terryl A.; Newman, John A.; Leser, Paul; Lahue, Rob

    2012-01-01

    Ferromagnetic shape-memory alloy (FSMA) particles undergo changes in both electromagnetic properties and crystallographic structure when strained. When embedded in a structural material, these attributes can provide sensory output of the strain state of the structure. In this work, a detailed characterization of the electromagnetic properties of a FSMA under development for sensory applications is performed. In addition, a new eddy current probe is used to interrogate the electromagnetic properties of individual FSMA particles embedded in the sensory alloy during controlled fatigue tests on the multifunctional material.

  1. A Novel 3D Printer to Support Additive Manufacturing of Gradient Metal Alloy Structures, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Gradient metal alloy structures possess multi-functional properties that conventional monolithic metal counterparts do not have. Such structures can potentially...

  2. A Novel 3D Printer to Support Additive Manufacturing of Gradient Metal Alloy Structures, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Gradient metal alloy structures possess multi-functional properties that conventional monolithic metal counterparts do not have. Such structures can potentially...

  3. Processing of Refractory Metal Alloys for JOYO Irradiations

    International Nuclear Information System (INIS)

    RF Luther; ME Petrichek

    2006-01-01

    This is a summary of the refractory metal processing experienced by candidate Prometheus materiats as they were fabricated into specimens destined for testing within the JOYO test reactor, ex-reactor testing at Oak Ridge National Laboratory (ORNL), or testing within the NRPCT. The processing is described for each alloy from the point of inception to the point where processing was terminated due to the cancellation of Naval Reactor's involvement in the Prometheus Project. The alloys included three tantalum-base alloys (T-111, Ta-10W, and ASTAR-811C), a niobium-base alloy, (FS-85), and two molybdenum-rhenium alloys, one containing 44.5 w/o rhenium, and the other 47.5 w/o rhenium. Each of these alloys was either a primary candidate or back-up candidate for cladding and structural applications within the space reactor. Their production was intended to serve as a forerunner for large scale production ingots that were to be procured from commercial refractory metal vendors such as Wah Chang

  4. Strengthening of metallic alloys with nanometer-size oxide dispersions

    Science.gov (United States)

    Flinn, John E.; Kelly, Thomas F.

    1999-01-01

    Austenitic stainless steels and nickel-base alloys containing, by wt. %, 0.1 to 3.0% V, 0.01 to 0.08% C, 0.01 to 0.5% N, 0.05% max. each of Al and Ti, and 0.005 to 0.10% O, are strengthened and ductility retained by atomization of a metal melt under cover of an inert gas with added oxygen to form approximately 8 nanometer-size hollow oxides within the alloy grains and, when the alloy is aged, strengthened by precipitation of carbides and nitrides nucleated by the hollow oxides. Added strengthening is achieved by nitrogen solid solution strengthening and by the effect of solid oxides precipitated along and pinning grain boundaries to provide temperature-stabilization and refinement of the alloy grains.

  5. Molybdenum-A Key Component of Metal Alloys

    Science.gov (United States)

    Kropschot, S.J.

    2010-01-01

    Molybdenum, whose chemical symbol is Mo, was first recognized as an element in 1778. Until that time, the mineral molybdenite-the most important source of molybdenum-was believed to be a lead mineral because of its metallic gray color, greasy feel, and softness. In the late 19th century, French metallurgists discovered that molybdenum, when alloyed (mixed) with steel in small quantities, creates a substance that is remarkably tougher than steel alone and is highly resistant to heat. The alloy was found to be ideal for making tools and armor plate. Today, the most common use of molybdenum is as an alloying agent in stainless steel, alloy steels, and superalloys to enhance hardness, strength, and resistance to corrosion.

  6. Strengthening of metallic alloys with nanometer-size oxide dispersions

    Science.gov (United States)

    Flinn, J.E.; Kelly, T.F.

    1999-06-01

    Austenitic stainless steels and nickel-base alloys containing, by wt. %, 0.1 to 3.0% V, 0.01 to 0.08% C, 0.01 to 0.5% N, 0.05% max. each of Al and Ti, and 0.005 to 0.10% O, are strengthened and ductility retained by atomization of a metal melt under cover of an inert gas with added oxygen to form approximately 8 nanometer-size hollow oxides within the alloy grains and, when the alloy is aged, strengthened by precipitation of carbides and nitrides nucleated by the hollow oxides. Added strengthening is achieved by nitrogen solid solution strengthening and by the effect of solid oxides precipitated along and pinning grain boundaries to provide temperature-stabilization and refinement of the alloy grains. 20 figs.

  7. Atmospheric corrosion of metals in tropics and subtropic. 2. Corrosion resistance of different metals and alloys

    International Nuclear Information System (INIS)

    Strekalov, P.V.

    1993-01-01

    Data from 169 sources concerning corrosion of different metals, alloys and means of protection, obtained for a 30-year period (up to 1987) in different continent including Europe (Bulgaria, Spain, Italy, France, USSR); America (USA, Panama, Cuba, Venezuela, Brasil, Argentine); Africa (Nigeria, SAR); Australia, New Zeland, Papua-Newguinea, Philippines, are systemized. Actual results of full-scal atmospheric testings of iron, zinc, copper, cadmium, aluminium, tin, lead, carbon, low-alloys. Stainless steels, cast irons, halvanic coatings, copper, aluminium, nickel, titanium, magnesium alloys are presented. Data on the fracture rate can be used for creating the data base in banks on atmospheric resistance of metal materials

  8. Diffusion and surface alloying of gradient nanostructured metals

    Directory of Open Access Journals (Sweden)

    Zhenbo Wang

    2017-03-01

    Full Text Available Gradient nanostructures (GNSs have been optimized in recent years for desired performance. The diffusion behavior in GNS metals is crucial for understanding the diffusion mechanism and relative characteristics of different interfaces that provide fundamental understanding for advancing the traditional surface alloying processes. In this paper, atomic diffusion, reactive diffusion, and surface alloying processes are reviewed for various metals with a preformed GNS surface layer. We emphasize the promoted atomic diffusion and reactive diffusion in the GNS surface layer that are related to a higher interfacial energy state with respect to those in relaxed coarse-grained samples. Accordingly, different surface alloying processes, such as nitriding and chromizing, have been modified significantly, and some diffusion-related properties have been enhanced. Finally, the perspectives on current research in this field are discussed.

  9. Wetting of refractory metals with copper base alloys

    International Nuclear Information System (INIS)

    Anikeev, E.F.; Kostikov, V.I.; Chepelenko, V.N.; Batov, V.M.

    1978-01-01

    The effect is studied of phosphorus upon the wetting of molybdenum, niobium and tantalum by an alloy of the system copper-silver (10%) as a function of contact time and phosphorus concentration. Experiments have been conducted in vacuum of 5x10 -4 mm Hg at 900 deg C. It is established that the introduction of phosphorus into a copper-silver alloy improves the wetting of molybdenum, niobium and tantalum. Formation of intermetallic compounds on the alloy-refractory metal interface can be avoided by adjusting the time of contact of the solder with molybdenum, niobium and tantalum. As a solder with 2.9% phosphorus spreads well over copper, it is suggested to use said solder for brazing copper and the investigated refractory metals in items intended for service at temperatures of up to 600 deg C

  10. Hydrogen formation in metals and alloys during fusion reactor operation

    International Nuclear Information System (INIS)

    Zimin, S.; Takatsu, Hideyuki; Mori, Seiji

    1994-08-01

    The results of neutron transport calculations of the hydrogen formation based on the JENDL gas-production cross section file are discussed for some metals and alloys, namely 51 V, Cr, Fe, Ni, Mo, austenitic stainless steel (Ti modified 316SS:PCA), ferritic steel (Fe-8Cr-2W:F82H) and the vanadium-base alloy (V-5Cr-5Ti). Impact of the steel fraction in steel/water homogeneous blanket/shield compositions on the hydrogen formation rate in above-mentioned metals and alloys is discussed both for the hydrogen formation in the first wall and the blanket/shield components. The results obtained for the first wall are compared with those for the helium formation obtained at JAERI by the same calculational conditions. Hydrogen formation rates at the first wall having 51 V, Cr, Fe, Ni and Mo are larger than those of helium by 3-8 times. (author)

  11. Fatigue damage assessment of recycled metals and alloys | Ayensu ...

    African Journals Online (AJOL)

    Cyclic fatigue tests were conducted on recycled polycrystalline metals and alloys at room and elevated tempera-ures to determine the fatigue strength, endurance limit and endurance ratio. Annealed and polished stainless steel (Fe-18Cr-8Ni), mild steel (Fe-0.25Cr), aluminium (Al), alpha-brass (Cu-30 % Zn) and copper ...

  12. Nitrogen annealing of zirconium or titanium metals and their alloys

    International Nuclear Information System (INIS)

    Eucken, C.M.

    1982-01-01

    A method is described of continuously nitrogen annealing zirconium and titanium metals and their alloys at temperatures at from 525 0 to 875 0 C for from 1/2 minute to 15 minutes. The examples include the annealing of Zircaloy-4. (U.K.)

  13. On the valence state of Yb and Ce in transition metal intermetallic compounds

    International Nuclear Information System (INIS)

    Boer, F.R. de; Dijkman, W.H.; Mattens, W.C.M.

    1979-01-01

    In the pure state Yb is a divalent metal, similar to Ca; in alloys it can become trivalent like the majority of the rare earth metals. Using a value of 38 kJ (mol Yb) -1 for the energy difference between divalent and trivalent Yb metal and using model calculations for the heat of formation of intermetallic compounds, the authors are able to account for the existing information on the valence state of Yb in transition metal compounds. A similar analysis of compounds of Ce with transition metals shows that a model in which the 4f electron is treated as a core electron, i.e. being absent in the tetravalent modification of Ce and present as a fully localized electron in trivalent Ce, does not apply. (Auth.)

  14. Correlations in rare-earth transition-metal permanent magnets

    International Nuclear Information System (INIS)

    Skomski, R.; Manchanda, P.; Kashyap, A.

    2015-01-01

    It is investigated how electron-electron correlations affect the intrinsic properties of rare-earth transition-metal magnets. Focusing on orbital moment and anisotropy, we perform model calculations for 3d-4f alloys and density-functional theory (DFT) calculations for NdCo 5 . On an independent-electron level, the use of a single Slater determinant with broken spin symmetry introduces Hund's rule correlations, which govern the behavior of rare-earth ions and of alloys described by the local spin density approximation (LSDA) and LSDA + U approximations to DFT. By contrast, rare-earth ions in intermetallics involve configuration interactions between two or more Slater determinants and lead to phenomena such as spin-charge distribution. Analyzing DFT as a Legendre transformation and using Bethe's crystal-field theory, we show that the corresponding density functionals are very different from familiar LSDA-type expressions and outline the effect of spin-charge separation on the magnetocrystalline anisotropy

  15. Correlations in rare-earth transition-metal permanent magnets

    Science.gov (United States)

    Skomski, R.; Manchanda, P.; Kashyap, A.

    2015-05-01

    It is investigated how electron-electron correlations affect the intrinsic properties of rare-earth transition-metal magnets. Focusing on orbital moment and anisotropy, we perform model calculations for 3d-4f alloys and density-functional theory (DFT) calculations for NdCo5. On an independent-electron level, the use of a single Slater determinant with broken spin symmetry introduces Hund's rule correlations, which govern the behavior of rare-earth ions and of alloys described by the local spin density approximation (LSDA) and LSDA + U approximations to DFT. By contrast, rare-earth ions in intermetallics involve configuration interactions between two or more Slater determinants and lead to phenomena such as spin-charge distribution. Analyzing DFT as a Legendre transformation and using Bethe's crystal-field theory, we show that the corresponding density functionals are very different from familiar LSDA-type expressions and outline the effect of spin-charge separation on the magnetocrystalline anisotropy.

  16. Process for continuous production of metallic uranium and uranium alloys

    Science.gov (United States)

    Hayden, Jr., Howard W.; Horton, James A.; Elliott, Guy R. B.

    1995-01-01

    A method is described for forming metallic uranium, or a uranium alloy, from uranium oxide in a manner which substantially eliminates the formation of uranium-containing wastes. A source of uranium dioxide is first provided, for example, by reducing uranium trioxide (UO.sub.3), or any other substantially stable uranium oxide, to form the uranium dioxide (UO.sub.2). This uranium dioxide is then chlorinated to form uranium tetrachloride (UCl.sub.4), and the uranium tetrachloride is then reduced to metallic uranium by reacting the uranium chloride with a metal which will form the chloride of the metal. This last step may be carried out in the presence of another metal capable of forming one or more alloys with metallic uranium to thereby lower the melting point of the reduced uranium product. The metal chloride formed during the uranium tetrachloride reduction step may then be reduced in an electrolysis cell to recover and recycle the metal back to the uranium tetrachloride reduction operation and the chlorine gas back to the uranium dioxide chlorination operation.

  17. Process for continuous production of metallic uranium and uranium alloys

    Science.gov (United States)

    Hayden, H.W. Jr.; Horton, J.A.; Elliott, G.R.B.

    1995-06-06

    A method is described for forming metallic uranium, or a uranium alloy, from uranium oxide in a manner which substantially eliminates the formation of uranium-containing wastes. A source of uranium dioxide is first provided, for example, by reducing uranium trioxide (UO{sub 3}), or any other substantially stable uranium oxide, to form the uranium dioxide (UO{sub 2}). This uranium dioxide is then chlorinated to form uranium tetrachloride (UCl{sub 4}), and the uranium tetrachloride is then reduced to metallic uranium by reacting the uranium chloride with a metal which will form the chloride of the metal. This last step may be carried out in the presence of another metal capable of forming one or more alloys with metallic uranium to thereby lower the melting point of the reduced uranium product. The metal chloride formed during the uranium tetrachloride reduction step may then be reduced in an electrolysis cell to recover and recycle the metal back to the uranium tetrachloride reduction operation and the chlorine gas back to the uranium dioxide chlorination operation. 4 figs.

  18. Magnetic excitations in transition-metal ferromagnets

    International Nuclear Information System (INIS)

    Uemura, Y.J.

    1984-01-01

    A review is given on current neutron scattering experiments at Brookhaven National Laboratory on transition-metal ferromagnets Ni, Fe, Pd 2 MnSn and MnSi. The scattering intensity in constant-energy scans, observed above T/sub c/ in all of these materials, exhibited a clear peak at finite momentum transfers. Using a simple scattering function with double-Lorentzian shape, we demonstrate that this peak is a manifestation of simple diffusive spin fluctuations. Experimental results of several parameters are compared in the context of localized-moment and itinerant-electron pictures. The ratio of spin wave stiffness constant D and transition temperature kT/sub c/ is shown to be a good yardstick for the degree of itinerancy of d-electrons

  19. On the ductile-to-brittle transition behavior of martensitic alloys neutron irradiated to 26 dpa

    International Nuclear Information System (INIS)

    Hu, W.L.; Gelles, D.S.

    1987-01-01

    Charpy impact tests were conducted on specimens made of HT-9 and 9Cr-1Mo in various heat treatment conditions which were irradiated in EBR-II to 26 dpa at 390 to 500 0 C. The results are compared with previous results on specimens irradiated to 13 dpa. HT-9 base metal irradiated at low temperatures showed a small additional increase in ductile brittle transition temperature and a decrease in upper shelf energy from 13 to 26 dpa. No fluence effect was observed in 9Cr-1Mo base metal. The 9Cr-1Mo weldment showed degraded DBTT but improved USE response compared to base metal, contrary to previous findings on HT-9. Significant differences were observed in HT-9 base metal between mill annealed material and normalized and tempered material. The highest DBTT for HT-9 alloys was 50 0 C higher than for the worst case in 9Cr-1Mo alloys. Fractography and hardness measurements were also obtained. Significant differences in fracture appearance were observed in different product forms, although no dependence on fluence was observed. Failure was controlled by the preirradiation microstructure

  20. Computational dynamics of laser alloyed metallic materials for improved corrosion performance: computational dynamics of laser alloyed metallic materials

    CSIR Research Space (South Africa)

    Fatoba, OS

    2016-04-01

    Full Text Available Laser alloying is a material processing method which utilizes the high power density available from defocused laser beam to melt both metal coatings and a part of the underlying substrate. Since melting occur solitary at the surface, large...

  1. Superior metallic alloys through rapid solidification processing (RSP) by design

    Energy Technology Data Exchange (ETDEWEB)

    Flinn, J.E. [Idaho National Engineering Laboratory, Idaho Falls, ID (United States)

    1995-05-01

    Rapid solidification processing using powder atomization methods and the control of minor elements such as oxygen, nitrogen, and carbon can provide metallic alloys with superior properties and performance compared to conventionally processing alloys. Previous studies on nickel- and iron-base superalloys have provided the baseline information to properly couple RSP with alloy composition, and, therefore, enable alloys to be designed for performance improvements. The RSP approach produces powders, which need to be consolidated into suitable monolithic forms. This normally involves canning, consolidation, and decanning of the powders. Canning/decanning is expensive and raises the fabrication cost significantly above that of conventional, ingot metallurgy production methods. The cost differential can be offset by the superior performance of the RSP metallic alloys. However, without the performance database, it is difficult to convince potential users to adopt the RSP approach. Spray casting of the atomized molten droplets into suitable preforms for subsequent fabrication can be cost competitive with conventional processing. If the fine and stable microstructural features observed for the RSP approach are preserved during spray casing, a cost competitive product can be obtained that has superior properties and performance that cannot be obtained by conventional methods.

  2. COST 507: Thermophysical properties of light metal alloys. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Jaroma-Weiland, G; Brandt, R; Neuer, G

    1994-02-15

    The thermophysical properties of Al-, Mg- and Ti-based light metal alloys have been studied by reviewing the literature published so far, evaluating the empirical results and by empirical investigations. The properties to the covered in the literature research are: thermal conductivity, thermal diffusivity, specific heat capacity, thermal expansion and electrical resistivity. The data have been stored in the factual data base THERSYST together with the results of experimental measurements supplied from participants of the COST 507-action (Group D). Altogether 1325 data-sets referring to 146 alloys have been stored. They have been uniformly represented and critically analyzed by means of the THERSYST program moduli. These numerical data cover a number of systems with variing chemical composition and thermal treatment. Partly large discrepancies especially of the thermal conductivity have been found for similar alloys. The problem of experimental uncertainities has been studied in detail by investigation of AA-8090 alloy (Al-2.5Li-1.1Cu). The thermophysical properties of monolithic alloy KS1275 (AlSi12CuNi) and metal matrix composite (KS1275 reinforced with Al2O3 short fibre) have been determined experimentally. (orig.)

  3. Phase transitions in alloys of the Ni-Mo system

    International Nuclear Information System (INIS)

    Ustinovshikov, Y.; Shabanova, I.

    2011-01-01

    Graphical abstract: The structure of Ni-20 at.% Mo and Ni-25 at.% Mo alloys was studied by methods of TEM and XPS. It is shown that at high temperatures the tendency toward phase separation takes place in the alloys and crystalline bcc Mo particles precipitate in the liquid solution. At 900 deg. C and below, the tendency toward ordering leads to the dissolution of Mo particles and precipitation of the particles of Ni 3 Mo, Ni 2 Mo or Ni 4 Mo chemical compounds. Highlights: → 'Chemical' phase transition 'ordering-phase separation' is first discovered in alloys of the Ni-Mo system. → It is first shown that the phase separation in the alloys studied begins at temperatures above the liquidus one. → The formation of Ni 3 Mo from A1 has gone through the intervening stage of the Ni 4 Mo and Ni 2 Mo coexistence. - Abstract: The structure of Ni-20 at.% Mo and Ni-25 at.% Mo alloys heat treated at different temperatures was studied by the method of transmission electron microscopy. X-ray photoelectron spectroscopy was used to detect the sign of the chemical interaction between Ni and Mo atoms at different temperatures. It is shown that at high temperatures the tendency toward phase separation takes place. The system of additional reflections at positions {1 1/2 0} on the electron diffraction patterns testifies that the precipitation of crystalline bcc Mo particles begins in the liquid solution. At 900 deg. C and below, the tendency toward ordering leads to the precipitation of the particles of the chemical compounds. A body-centered tetragonal phase Ni 4 Mo (D1 a ) is formed in the Ni-20 at.% Mo alloy. In the Ni-25 at.% Mo alloy, the formation of the Ni 3 Mo (D0 22 ) chemical compound from the A1 solid solution has gone through the intervening stage of the Ni 4 Mo (D1 a ) and Ni 2 Mo (Pt 2 Mo) formation.

  4. New applications and novel processing of refractory metal alloys

    International Nuclear Information System (INIS)

    Briant, C.L.

    2001-01-01

    Refractory metals have often been limited in their application because of their propensity to oxidize and to undergo a loos of yield strength at elevated temperatures. However, recent developments in both processing and alloy composition have opened the possibility that these materials might be used in structural applications that were not considered possible in the past. At the same time, the use of refractory metals in the electronics industry is growing, particularly with the use of tantalum as a diffusion barrier for copper metallization. Finally, the application of grain boundary engineering to the problem of intergranular fracture in these materials may allow processes to be developed that will produce alloys with a greater resistance to fracture. (author)

  5. Bulk metallic glasses and high entropy alloys for reprocessing applications

    International Nuclear Information System (INIS)

    Kamachi Mudali, U.; Jayaraj, J.

    2016-01-01

    Recent breakthroughs in materials engineering have generated complex alloys that retain a glassy state in bulk form (bulk metallic glasses or BMGs) via ingot casting. High corrosion resistance is expected for BMGs (amorphous) as they are free from defects associated with the crystalline state such as grain boundaries, dislocations and stacking faults. Compared with conventional alloys containing one or two principal elements, the recently developed HEAs are usually composed of five or more elements with equimolar or near equimolar elemental fractions, which forms single solid solution phase. These HEAs exhibit excellent microstructural stability with better mechanical, wear and corrosion resistance properties as they are essentially single phase. Reprocessing of spent fuel from the fast breeder reactor involves the use of high concentration of (11.5 M) nitric acid under boiling conditions for the dissolution of the fuel. Conventional AISI type 304LSS and nitric acid grade 304L stainless steel would undergo inter-granular corrosion under these conditions and cannot be used for the fabrication of dissolver vessel. Currently titanium is used and zirconium alloys are proposed for future dissolver applications. Thus searching for newer materials with higher corrosion resistance suggests metallic glasses and HEAs for critical components of the dissolver application. Several Zr-based glassy alloys with different microstructural states and Ni-Nb based glassy alloys and TiZrHfNbTa HEA were cast and characterized for microstructure and corrosion resistance in nitric acid medium. From these studies, factors such as the corrosive environment (nitric acid, chloride and fluoride), and the presence of passivating elements in the alloy were emphasized for better corrosion resistance of BMGs and HEA. Attempts were also made to prepare coatings of Zr-and Ni-based glassy alloys on 304LSS by laser based deposition technique and their corrosion properties were evaluated. (author)

  6. Alkali metal and alkali metal hydroxide intercalates of the layered transition metal disulfides

    International Nuclear Information System (INIS)

    Kanzaki, Y.; Konuma, M.; Matsumoto, O.

    1981-01-01

    The intercalation reaction of some layered transition metal disulfides with alkali metals, alkali metal hydroxides, and tetraalkylammonium hydroxides were investigated. The alkali metal intercalates were prepared in the respective metal-hexamethylphosphoric triamide solutions in vaccuo, and the hydroxide intercalates in aqueous hydroxide solutions. According to the intercalation reaction, the c-lattice parameter was increased, and the increase indicated the expansion of the interlayer distance. In the case of alkali metal intercalates, the expansion of the interlayer distance increased continuously, corresponding to the atomic radius of the alkali metal. On the other hand, the hydroxide intercalates showed discrete expansion corresponding to the effective ionic radius of the intercalated cation. All intercalates of TaS 2 amd NbS 2 were superconductors. The expansion of the interlayer distance tended to increase the superconducting transition temperature in the intercalates of TaS 2 and vice versa in those of NbS 2 . (orig.)

  7. Formation of bulk metallic glasses in the Fe-M-Y-B (M = transition metal) system

    Energy Technology Data Exchange (ETDEWEB)

    Huang, X.M. [International Center for New-Structured Materials (ICNSM) and Laboratory of New-Structured Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Chang, C.T. [Institute for Material Research, Tohoku University, Sendai 980-8577 (Japan); Chang, Z.Y.; Wang, X.D.; Cao, Q.P. [International Center for New-Structured Materials (ICNSM) and Laboratory of New-Structured Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Shen, B.L.; Inoue, A. [Institute for Material Research, Tohoku University, Sendai 980-8577 (Japan); Jiang, J.Z. [International Center for New-Structured Materials (ICNSM) and Laboratory of New-Structured Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)], E-mail: jiangjz@zju.edu.cn

    2008-07-28

    In this work, quaternary Fe{sub 72-x}M{sub x}Y{sub 6}B{sub 22} (M = Ni, Co and Mo) bulk metallic glasses (BMGs) have been developed. It is found that a fully amorphous Fe{sub 68}Mo{sub 4}Y{sub 6}B{sub 22} cylindrical rod with 6.5 mm in diameter can be prepared by copper mold injection. These alloys have a high glass transition temperature of about 900 K with high fracture strengths up to about 3 GPa although they are still brittle. Magnetic measurements reveal that they are ferromagnetic at ambient temperature with low coercive force of about 2 A/m, saturation magnetization of about 0.7 T and effective permeability of about 7000 at 100 kHz. The newly developed Fe-based quaternary alloys exhibit excellent combination properties: superior glass forming ability (GFA), high glass transition temperature, and soft magnetic properties, which could have potential applications in electronic industries. Furthermore, the effect of Mo addition on GFA in the Fe-Y-B BMG system has been discussed compared with those of Ni and Co additions.

  8. Metal non-metal transitions in doped semiconductors

    International Nuclear Information System (INIS)

    Brezini, A.

    1989-12-01

    A disordered Hubbard model with diagonal disorder is used to examine the electron localization effects associated with both disorder and electron-electron interaction. Extensive results are reported on the ground state properties and compared with other theories. In particular two regimes are observed; when the electron-electron interaction U is greater than the disorder parameter and when is smaller. Furthermore the effect of including conduction-band minima into the calculation of metal-insulator transitions in doped Si and Ge is investigated with use of Berggren approach. Good agreement with experiments are found when both disorder and interactions are included. (author). 37 refs, 7 figs, 3 tabs

  9. High-Pressure Thermodynamic Properties of f-electron Metals, Transition Metal Oxides, and Half-Metallic Magnets

    International Nuclear Information System (INIS)

    Richard T. Scalettar; Warren E. Pickett

    2005-01-01

    This project involves research into the thermodynamic properties of f-electron metals, transition metal oxides, and half-metallic magnets at high pressure. These materials are ones in which the changing importance of electron-electron interactions as the distance between atoms is varied can tune the system through phase transitions from localized to delocalized electrons, from screened to unscreened magnetic moments, and from normal metal to one in which only a single spin specie can conduct. Three main thrusts are being pursued: (1) Mott transitions in transition metal oxides, (2) magnetism in half-metallic compounds, and (3) large volume-collapse transitions in f-band metals

  10. High-Pressure Thermodynamic Properties of f-electron Metals, Transition Metal Oxides, and Half-Metallic Magnets

    Energy Technology Data Exchange (ETDEWEB)

    Scalettar, Richard T.; Pickett, Warren E.

    2004-07-01

    This project involves research into the thermodynamic properties of f-electron metals, transition metal oxides, and half-metallic magnets at high pressure. These materials are ones in which the changing importance of electron-electron interactions as the distance between atoms is varied can tune the system through phase transitions from localized to delocalized electrons, from screened to unscreened magnetic moments, and from normal metal to one in which only a single spin specie can conduct. Three main thrusts are being pursued: (1) Mott transitions in transition metal oxides, (2) magnetism in half-metallic compounds, and (3) large volume-collapse transitions in f-band metals.

  11. High-Pressure Thermodynamic Properties of f-electron Metals, Transition Metal Oxides, and Half-Metallic Magnets

    Energy Technology Data Exchange (ETDEWEB)

    Richard T. Scalettar; Warren E. Pickett

    2005-08-02

    This project involves research into the thermodynamic properties of f-electron metals, transition metal oxides, and half-metallic magnets at high pressure. These materials are ones in which the changing importance of electron-electron interactions as the distance between atoms is varied can tune the system through phase transitions from localized to delocalized electrons, from screened to unscreened magnetic moments, and from normal metal to one in which only a single spin specie can conduct. Three main thrusts are being pursued: (i) Mott transitions in transition metal oxides, (ii) magnetism in half-metallic compounds, and (iii) large volume-collapse transitions in f-band metals.

  12. Coating with overlay metallic-cermet alloy systems

    Science.gov (United States)

    Gedwill, M. A.; Levine, S. R.; Glasgow, T. K. (Inventor)

    1984-01-01

    A base layer of an oxide dispersed, metallic alloy (cermet) is arc plasma sprayed onto a substrate, such as a turbine blade, vane, or the like, which is subjected to high temperature use. A top layer of an oxidation, hot corrosion, erosion resistant alloy of nickel, cobalt, or iron is then arc plasma sprayed onto the base layer. A heat treatment is used to improve the bonding. The base layer serves as an inhibitor to interdiffusion between the protective top layer and the substrate. Otherwise, the 10 protective top layer would rapidly interact detrimentally with the substrate and degrade by spalling of the protective oxides formed on the outer surface at elevated temperatures.

  13. Modification of amorphous metal alloys and nanocrystals by radiation

    International Nuclear Information System (INIS)

    Holkova, D.; Sitek, J.

    2017-01-01

    The paper deals with radiation damage and modification of amorphous metal alloys by neutron irradiation and electrons. Initial experiments were focused on electron irradiation, with various amorphous precursors as well as nanocrystalline alloys: Fe_8_1Nb_7B_1_2, (Fe_3Ni_1)_8_1Nb_7B_1_2, (Fe_3Ni_1)_8_1Nb_7B_1_2 and NANOMET Fe_8_1_._6B_9_._6Si_4_._8P_3Cu_1 being selected for the irradiated objects. The experimental part summarizes the previous results obtained by Moessbauer spectroscopy as well as XRD. (authors)

  14. The atomic structure of transition metal clusters

    International Nuclear Information System (INIS)

    Riley, S.J.

    1995-01-01

    Chemical reactions are used to probe the atomic (geometrical) structure of isolated clusters of transition metal atoms. The number of adsorbate molecules that saturate a cluster, and/or the binding energy of molecules to cluster surfaces, are determined as a function of cluster size. Systematics in these properties often make it possible to propose geometrical structures consistent with the experimental observations. We will describe how studies of the reactions of cobalt and nickel clusters with ammonia, water, and nitrogen provide important and otherwise unavailable structural information. Specifically, small (less than 20 atoms) clusters of cobalt and nickel atoms adopt entirely different structures, the former having packing characteristic of the bulk and the latter having pentagonal symmetry. These observations provide important input for model potentials that attempt to describe the local properties of transition metals. In particular, they point out the importance of a proper treatment of d-orbital binding in these systems, since cobalt and nickel differ so little in their d-orbital occupancy

  15. Janus monolayers of transition metal dichalcogenides

    KAUST Repository

    Lu, Ang-Yu

    2017-05-15

    Structural symmetry-breaking plays a crucial role in determining the electronic band structures of two-dimensional materials. Tremendous efforts have been devoted to breaking the in-plane symmetry of graphene with electric fields on AB-stacked bilayers or stacked van der Waals heterostructures. In contrast, transition metal dichalcogenide monolayers are semiconductors with intrinsic in-plane asymmetry, leading to direct electronic bandgaps, distinctive optical properties and great potential in optoelectronics. Apart from their in-plane inversion asymmetry, an additional degree of freedom allowing spin manipulation can be induced by breaking the out-of-plane mirror symmetry with external electric fields or, as theoretically proposed, with an asymmetric out-of-plane structural configuration. Here, we report a synthetic strategy to grow Janus monolayers of transition metal dichalcogenides breaking the out-of-plane structural symmetry. In particular, based on a MoS2 monolayer, we fully replace the top-layer S with Se atoms. We confirm the Janus structure of MoSSe directly by means of scanning transmission electron microscopy and energy-dependent X-ray photoelectron spectroscopy, and prove the existence of vertical dipoles by second harmonic generation and piezoresponse force microscopy measurements.

  16. Edge Delamination of Monolayer Transition Metal Dichalcogenides.

    Science.gov (United States)

    Ly, Thuc Hue; Yun, Seok Joon; Thi, Quoc Huy; Zhao, Jiong

    2017-07-25

    Delamination of thin films from the supportive substrates is a critical issue within the thin film industry. The emergent two-dimensional, atomic layered materials, including transition metal dichalcogenides, are highly flexible; thus buckles and wrinkles can be easily generated and play vital roles in the corresponding physical properties. Here we introduce one kind of patterned buckling behavior caused by the delamination from a substrate initiated at the edges of the chemical vapor deposition synthesized monolayer transition metal dichalcogenides, led by thermal expansion mismatch. The atomic force microscopy and optical characterizations clearly showed the puckered structures associated with the strain, whereas the transmission electron microscopy revealed the special sawtooth-shaped edges, which break the geometrical symmetry for the buckling behavior of hexagonal samples. The condition of the edge delamination is in accordance with the fracture behavior of thin film interfaces. This edge delamination and buckling process is universal for most ultrathin two-dimensional materials, which requires more attention in various future applications.

  17. Multiscale model of metal alloy oxidation at grain boundaries

    International Nuclear Information System (INIS)

    Sushko, Maria L.; Alexandrov, Vitaly; Schreiber, Daniel K.; Rosso, Kevin M.; Bruemmer, Stephen M.

    2015-01-01

    High temperature intergranular oxidation and corrosion of metal alloys is one of the primary causes of materials degradation in nuclear systems. In order to gain insights into grain boundary oxidation processes, a mesoscale metal alloy oxidation model is established by combining quantum Density Functional Theory (DFT) and mesoscopic Poisson-Nernst-Planck/classical DFT with predictions focused on Ni alloyed with either Cr or Al. Analysis of species and fluxes at steady-state conditions indicates that the oxidation process involves vacancy-mediated transport of Ni and the minor alloying element to the oxidation front and the formation of stable metal oxides. The simulations further demonstrate that the mechanism of oxidation for Ni-5Cr and Ni-4Al is qualitatively different. Intergranular oxidation of Ni-5Cr involves the selective oxidation of the minor element and not matrix Ni, due to slower diffusion of Ni relative to Cr in the alloy and due to the significantly smaller energy gain upon the formation of nickel oxide compared to that of Cr 2 O 3 . This essentially one-component oxidation process results in continuous oxide formation and a monotonic Cr vacancy distribution ahead of the oxidation front, peaking at alloy/oxide interface. In contrast, Ni and Al are both oxidized in Ni-4Al forming a mixed spinel NiAl 2 O 4 . Different diffusivities of Ni and Al give rise to a complex elemental distribution in the vicinity of the oxidation front. Slower diffusing Ni accumulates in the oxide and metal within 3 nm of the interface, while Al penetrates deeper into the oxide phase. Ni and Al are both depleted from the region 3–10 nm ahead of the oxidation front creating voids. The oxide microstructure is also different. Cr 2 O 3 has a plate-like structure with 1.2–1.7 nm wide pores running along the grain boundary, while NiAl 2 O 4 has 1.5 nm wide pores in the direction parallel to the grain boundary and 0.6 nm pores in the perpendicular direction providing an additional

  18. Fracture assessment for a dissimilar metal weld of low alloy steel and Ni-base alloy

    Energy Technology Data Exchange (ETDEWEB)

    Ogawa, Takuya, E-mail: takuya4.ogawa@toshiba.co.jp [Toshiba Corporation Power Systems Company, Power and Industrial Systems Research and Development Center, 8, Shinsugita-cho, Isogo-ku, Yokohama 235-8523 (Japan); Itatani, Masao; Saito, Toshiyuki; Hayashi, Takahiro; Narazaki, Chihiro; Tsuchihashi, Kentaro [Toshiba Corporation Power Systems Company, Power and Industrial Systems Research and Development Center, 8, Shinsugita-cho, Isogo-ku, Yokohama 235-8523 (Japan)

    2012-02-15

    Recently, instances of SCC in Ni-base alloy weld metal of light water reactor components have been reported. Despite the possibility of propagation of SCC crack to the fusion line between low alloy steel (LAS) of pressure vessel and Ni-base alloy of internal structure, a fracture assessment method of dissimilar metal welded joint has not been established. The objective of this study is to investigate a fracture mode of dissimilar metal weld of LAS and Ni-base alloy for development of a fracture assessment method for dissimilar metal weld. Fracture tests were conducted using two types of dissimilar metal weld test plates with semi-elliptical surface crack. In one of the test plates, the fusion line lies around the surface points of the surface crack and the crack tips at the surface points have intruded into LAS. Material ahead of the crack tip at the deepest point is Ni-base alloy. In the other, the fusion line lies around the deepest point of the surface crack and the crack tip at the deepest point has intruded into LAS. Material ahead of the crack tip at the deepest point is LAS. The results of fracture tests using the former type of test plate reveal that the collapse load considering the proportion of ligament area of each material gives a good estimation for fracture load. That is, fracture assessment based on plastic collapse mode is applicable to the former type of test plate. It is also understood that a fracture assessment method based on the elastic-plastic fracture mode is suitable for the latter type of test plate.

  19. Possibility of surface carburization of refractory metals of electric spark alloying

    International Nuclear Information System (INIS)

    Verkhoturov, A.D.; Isaeva, L.P.; Timofeeva, I.I.; Tsyban', V.A.

    1981-01-01

    The paper is concerned with a study in the alloying layer formation under electric spark alloying of refractory (Ti, Zr, Nb, Mo, W, Co, Fe) metals with graphite in argon and in air using the EhFI-46A installation. It is shown that in electric spark alloying with graphite there appear certain specific conditions for the alloying layer formation manifested in the cathode mass decrease during treatment. In this case an alloying layer consisting of carbides, oxides of the corresponding metals and material of the base is formed on the metal surface. The best carburization conditions in the process of electric spark alloying are realized for group 4 metals when treating them in ''soft'' regime, specific time of alloying being 1-3 min/sm 2 and for group 5 and 6 metals - in ''rigid'' regime of treatment and specific time of alloying 3-5 min/cm 2 [ru

  20. Three dimensional atom probe study of Ni-base alloy/low alloy steel dissimilar metal weld interfaces

    International Nuclear Information System (INIS)

    Choi, Kyoung Joon; Shin, Sang Hun; Kim, Jong Jin; Jung, Ju Ang; Kim, Ji Hyun

    2012-01-01

    Three dimensional atom probe tomography (3D APT) is applied to characterize the dissimilar metal joint which was welded between the Ni-based alloy, Alloy 690 and the low alloy steel, A533 Gr. B, with Alloy 152 filler metal. While there is some difficulty in preparing the specimen for the analysis, the 3D APT has a truly quantitative analytical capability to characterize nanometer scale particles in metallic materials, thus its application to the microstructural analysis in multicomponent metallic materials provides critical information on the mechanism of nanoscale microstructural evolution. In this study, the procedure for 3D APT specimen preparation was established, and those for dissimilar metal weld interface were prepared near the fusion boundary by a focused ion beam. The result of the analysis in this study showed the precipitation of chromium carbides near the fusion boundary between A533 Gr. B and Alloy 152.

  1. Three dimensional atom probe study of Ni-base alloy/low alloy steel dissimilar metal weld interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Kyoung Joon; Shin, Sang Hun; Kim, Jong Jin; Jung, Ju Ang; Kim, Ji Hyun [Interdisciplinary School of Green Energy, Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of)

    2012-08-15

    Three dimensional atom probe tomography (3D APT) is applied to characterize the dissimilar metal joint which was welded between the Ni-based alloy, Alloy 690 and the low alloy steel, A533 Gr. B, with Alloy 152 filler metal. While there is some difficulty in preparing the specimen for the analysis, the 3D APT has a truly quantitative analytical capability to characterize nanometer scale particles in metallic materials, thus its application to the microstructural analysis in multicomponent metallic materials provides critical information on the mechanism of nanoscale microstructural evolution. In this study, the procedure for 3D APT specimen preparation was established, and those for dissimilar metal weld interface were prepared near the fusion boundary by a focused ion beam. The result of the analysis in this study showed the precipitation of chromium carbides near the fusion boundary between A533 Gr. B and Alloy 152.

  2. The dissimilar brazing of Kovar alloy to SiCp/Al composites using silver-based filler metal foil

    Science.gov (United States)

    Wang, Peng; Xu, Dongxia; Zhai, Yahong; Niu, Jitai

    2017-09-01

    Aluminum metal matrix composites with high SiC content (60 vol.% SiCp/Al MMCs) were surface metallized with a Ni-P alloy coating, and vacuum brazing between the composites and Kovar alloy were performed using rapidly cooled Ag-22.0Cu-15.9In-10.86Sn-1.84Ti (wt%) foil. The effects of Ni-P alloy coating and brazing parameters on the joint microstructures and properties were researched by SEM, EDS, and single lap shear test, respectively. Results show that Ag-Al intermetallic strips were formed in the 6063Al matrix and filler metal layer because of diffusion, and they were arranged regularly and accumulated gradually as the brazing temperature was increased ( T/°C = 550-600) or the soaking time was prolonged ( t/min = 10-50). However, excessive strips would destroy the uniformity of seams and lead to a reduced bonding strength (at most 70 MPa). Using a Ni-P alloy coating, void free joints without those strips were obtained at 560 °C after 20 min soaking time, and a higher shear strength of 90 MPa was achieved. The appropriate interface reaction ( 2 μm transition layer) that occurred along the Ni-P alloy coating/filler metal/Kovar alloy interfaces resulted in better metallurgical bonding. In this research, the developed Ag-based filler metal was suitable for brazing the dissimilar materials of Ni-P alloy-coated SiCp/Al MMCs and Kovar alloy, and capable welding parameters were also broadened.

  3. Magnesium nanoparticles with transition metal decoration for hydrogen storage

    International Nuclear Information System (INIS)

    Pasquini, Luca; Callini, Elsa; Brighi, Matteo; Boscherini, Federico; Montone, Amelia; Jensen, Torben R.; Maurizio, Chiara; Vittori Antisari, Marco; Bonetti, Ennio

    2011-01-01

    We report on the hydrogen storage behaviour of Mg nanoparticles (NPs) (size range 100 nm–1 μm) with metal-oxide core–shell morphology synthesized by inert gas condensation and decorated by transition metal (TM) (Pd or Ti) clusters via in situ vacuum deposition. The structure and morphology of the as-prepared and hydrogenated NPs is studied by electron microscopy, X-ray diffraction including in situ experiments and X-ray absorption spectroscopy, in order to investigate the relationships with the hydrogen storage kinetics measured by the volumetric Sieverts method. With both Pd and Ti, the decoration deeply improves the hydrogen sorption properties: previously inert NPs exhibit complete hydrogenation with fast transformation kinetics, good stability and reversible gravimetric capacity that can attain 6 wt%. In the case of Pd-decoration, the occurrence of Mg–Pd alloying is observed at high temperatures and in dependence of the hydrogen pressure conditions. These structural transformations modify both the kinetics and thermodynamics of hydride formation, while Ti-decoration has an effect only on the kinetics. The experimental results are discussed in relation with key issues such as the amount of decoration, the heat of mixing between TM and Mg and the binding energy between TM and hydrogen.

  4. Spin glass transition in canonical AuFe alloys: A numerical study

    International Nuclear Information System (INIS)

    Zhang, Kai-Cheng; Li, Yong-Feng; Liu, Gui-Bin; Zhu, Yan

    2012-01-01

    Although spin glass transitions have long been observed in diluted magnetic alloys, e.g. AuFe and CuMn alloys, previous numerical studies are not completely consistent with the experiment results. The abnormal critical exponents of the alloys remain still puzzling. By employing parallel tempering algorithm with finite-size scaling analysis, we investigated the phase transitions in canonical AuFe alloys. Our results strongly support that spin glass transitions occur at finite temperatures in the alloys. The calculated critical exponents agree well with those obtained from experiments. -- Highlights: ► By simulation we investigated the abnormal critical exponents observed in canonical SG alloys. ► The critical exponents obtained from our simulations agree well with those measured from experiments. ► Our results strongly support that RKKY interactions lead to SG transitions at finite temperatures.

  5. Effect of gold subsurface layer on the surface activity and segregation in Pt/Au/Pt{sub 3}M (where M = 3d transition metals) alloy catalyst from first-principles

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Chang-Eun [Fuel Cell Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Global E3 Institute and Department of Materials Science and Engineering, Yonsei University, 120-749 Seoul (Korea, Republic of); Lim, Dong-Hee [Fuel Cell Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Department of Environmental Engineering, Chungbuk National University, 1 Chungdae-ro, Seowon-Gu, Cheongju, Chungbuk 362-763 (Korea, Republic of); Jang, Jong Hyun; Kim, Hyoung Juhn; Yoon, Sung Pil; Han, Jonghee; Nam, Suk Woo [Fuel Cell Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Hong, Seong-Ahn [Fuel Cell Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Department of Advanced Materials Chemistry, Korea University, Sejong-city 339-700 (Korea, Republic of); Soon, Aloysius, E-mail: aloysius.soon@yonsei.ac.kr, E-mail: hchahm@kist.re.kr [Global E3 Institute and Department of Materials Science and Engineering, Yonsei University, 120-749 Seoul (Korea, Republic of); Ham, Hyung Chul, E-mail: aloysius.soon@yonsei.ac.kr, E-mail: hchahm@kist.re.kr [Fuel Cell Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Clean Energy and Chemical Engineering, University of Science and Technology (UST), 217 Gajungro, Yuseong-gu, Daejeon 305-333 (Korea, Republic of)

    2015-01-21

    The effect of a subsurface hetero layer (thin gold) on the activity and stability of Pt skin surface in Pt{sub 3}M system (M = 3d transition metals) is investigated using the spin-polarized density functional theory calculation. First, we find that the heterometallic interaction between the Pt skin surface and the gold subsurface in Pt/Au/Pt{sub 3}M system can significantly modify the electronic structure of the Pt skin surface. In particular, the local density of states projected onto the d states of Pt skin surface near the Fermi level is drastically decreased compared to the Pt/Pt/Pt{sub 3}M case, leading to the reduction of the oxygen binding strength of the Pt skin surface. This modification is related to the increase of surface charge polarization of outmost Pt skin atoms by the electron transfer from the gold subsurface atoms. Furthermore, a subsurface gold layer is found to cast the energetic barrier to the segregation loss of metal atoms from the bulk (inside) region, which can enhance the durability of Pt{sub 3}M based catalytic system in oxygen reduction condition at fuel cell devices. This study highlights that a gold subsurface hetero layer can provide an additional mean to tune the surface activity toward oxygen species and in turn the oxygen reduction reaction, where the utilization of geometric strain already reaches its practical limit.

  6. Effect of gold subsurface layer on the surface activity and segregation in Pt/Au/Pt3M (where M = 3d transition metals) alloy catalyst from first-principles.

    Science.gov (United States)

    Kim, Chang-Eun; Lim, Dong-Hee; Jang, Jong Hyun; Kim, Hyoung Juhn; Yoon, Sung Pil; Han, Jonghee; Nam, Suk Woo; Hong, Seong-Ahn; Soon, Aloysius; Ham, Hyung Chul

    2015-01-21

    The effect of a subsurface hetero layer (thin gold) on the activity and stability of Pt skin surface in Pt3M system (M = 3d transition metals) is investigated using the spin-polarized density functional theory calculation. First, we find that the heterometallic interaction between the Pt skin surface and the gold subsurface in Pt/Au/Pt3M system can significantly modify the electronic structure of the Pt skin surface. In particular, the local density of states projected onto the d states of Pt skin surface near the Fermi level is drastically decreased compared to the Pt/Pt/Pt3M case, leading to the reduction of the oxygen binding strength of the Pt skin surface. This modification is related to the increase of surface charge polarization of outmost Pt skin atoms by the electron transfer from the gold subsurface atoms. Furthermore, a subsurface gold layer is found to cast the energetic barrier to the segregation loss of metal atoms from the bulk (inside) region, which can enhance the durability of Pt3M based catalytic system in oxygen reduction condition at fuel cell devices. This study highlights that a gold subsurface hetero layer can provide an additional mean to tune the surface activity toward oxygen species and in turn the oxygen reduction reaction, where the utilization of geometric strain already reaches its practical limit.

  7. On the unit rupture work of metals and alloys

    International Nuclear Information System (INIS)

    Verkhoturov, A.D.; Kovalenko, V.S.; Dyatel, V.P.

    1980-01-01

    Studied is the effect of the nature of the treated material treatment regimes on their unit rupture work at laser treatment in the regime of quasistationary evaporation. It is shown that the unit rupture work changes its values depending on the treatment regimes, coincidences between experimental and calculation values of unit rupture work are not being observed, especially for refractory metals of the 6th group and for solid alloys. Established are optimum regimes for determination of stable values of unit rupture work

  8. Semiquantitative activation analysis in metallic alloys submitted to irregular irradiation

    International Nuclear Information System (INIS)

    Veissid, N.; Lucki, G.

    1979-01-01

    An analytic semiquantitative method using neutron activation was developed to determine the impurities and verify the composition of metallic alloys. By the radioactive transformation law, the number of atoms of each element present in the sample is determined measuring the activity in a multichannel. Two samples were analysed: a) Sample of nominal compositions FeNiCr (49,95-49,95 - 0,1% at). b) Sample of nominal composition NiCr (80,20% at). (Author) [pt

  9. Finite-element solidification modelling of metals and binary alloys

    International Nuclear Information System (INIS)

    Mathew, P.M.

    1986-12-01

    In the Canadian Nuclear Fuel Waste Management Program, cast metals and alloys are being evaluated for their ability to support a metallic fuel waste container shell under disposal vault conditions and to determine their performance as an additional barrier to radionuclide release. These materials would be cast to fill residual free space inside the container and allowed to solidify without major voids. To model their solidification characteristics following casting, a finite-element model, FAXMOD-3, was adopted. Input parameters were modified to account for the latent heat of fusion of the metals and alloys considered. This report describes the development of the solidification model and its theoretical verification. To model the solidification of pure metals and alloys that melt at a distinct temperature, the latent heat of fusion was incorporated as a double-ramp function in the specific heat-temperature relationship, within an interval of +- 1 K around the solidification temperature. Comparison of calculated results for lead, tin and lead-tin eutectic melts, unidirectionally cooled with and without superheat, showed good agreement with an alternative technique called the integral profile method. To model the solidification of alloys that melt over a temperature interval, the fraction of solid in the solid-liquid region, as calculated from the Scheil equation, was used to determine the fraction of latent heat to be liberated over a temperature interval within the solid-liquid zone. Comparison of calculated results for unidirectionally cooled aluminum-4 wt.% copper melt, with and without superheat, showed good agreement with alternative finite-difference techniques

  10. Neutron irradiation damage in transition metal carbides

    International Nuclear Information System (INIS)

    Matsui, Hisayuki; Nesaki, Kouji; Kiritani, Michio

    1991-01-01

    Effects of neutron irradiation on the physical properties of light transition metal carbides, TiC x , VC x and NbC x , were examined, emphasizing the characterization of irradiation induced defects in the nonstoichiometric composition. TiC x irradiated with 14 MeV (fusion) neutrons showed higher damage rates with increasing C/Ti (x) ratio. A brief discussion is made on 'cascade damage' in TiC x irradiated with fusion neutrons. Two other carbides (VC x and NbC x ) were irradiated with fission reactor neutrons. The irradiation effects on VC x were not so simple, because of the complex irradiation behavior of 'ordered' phases. For instance, complete disordering was revealed in an ordered phase, 'V 8 C 7 ', after an irradiation dose of 10 25 n/m 2 . (orig.)

  11. Versatile two-dimensional transition metal dichalcogenides

    DEFF Research Database (Denmark)

    Canulescu, Stela; Affannoukoué, Kévin; Döbeli, Max

    ), a strategy for the fabrication of 2D heterostructures must be developed. Here we demonstrate a novel approach for the bottom-up synthesis of TMDC monolayers, namely Pulsed Laser Deposition (PLD) combined with a sulfur evaporation beam. PLD relies on the use of a pulsed laser (ns pulse duration) to induce...... material transfer from a solid source (such as a sintered target of MoS2) to a substrate (such as Si or sapphire). The deposition rate in PLD is typically much less than a monolayer per pulse, meaning that the number of MLs can be controlled by a careful selection of the number of laser pulses......Two-dimensional transition metal dichalcogenides (2D-TMDCs), such as MoS2, have emerged as a new class of semiconducting materials with distinct optical and electrical properties. The availability of 2D-TMDCs with distinct band gaps allows for unlimited combinations of TMDC monolayers (MLs...

  12. Elastic properties of some transition metal arsenides

    Science.gov (United States)

    Nayak, Vikas; Verma, U. P.; Bisht, P. S.

    2018-05-01

    The elastic properties of transition metal arsenides (TMAs) have been studied by employing Wien2K package based on density functional theory in the zinc blende (ZB) and rock salt (RS) phase treating valance electron scalar relativistically. Further, we have also treated them non-relativistically to find out the relativistic effect. We have calculated the elastic properties by computing the volume conservative stress tensor for small strains, using the method developed by Charpin. The obtained results are discussed in paper. From the obtained results, it is clear that the values of C11 > C12 and C44 for all the compounds. The values of shear moduli of these compounds are also calculated. The internal parameter for these compounds shows that ZB structures of these compounds have high resistance against bond order. We find that the estimated elastic constants are in good agreement with the available data.

  13. Plating on some difficult-to-plate metals and alloys

    International Nuclear Information System (INIS)

    Dini, J.W.; Johnson, H.R.

    1980-02-01

    Electrodeposition of coatings on metals such as beryllium, beryllium-copper, Kovar, lead, magnesium, thorium, titanium, tungsten, uranium, zirconium, and their alloys can be problematic. This is due in most cases to a natural oxide surface film that readily reforms after being removed. The procedures we recommend for plating on these metals rely on replacing the oxide film with a displacement coating, or etching to allow mechanical keying between the substrate and plated deposit. The effectiveness of the procedures is demonstrated by interface bond strengths found in ring-shear and conical-head tensile tests

  14. Nuclear criticality safety parameter evaluation for uranium metallic alloy

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez, Andrea; Abe, Alfredo, E-mail: andreasdpz@hotmail.com, E-mail: abye@uol.com.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Centro de Energia Nuclear

    2013-07-01

    Nuclear criticality safety during fuel fabrication process, transport and storage of fissile and fissionable materials requires criticality safety analysis. Normally the analysis involves computer calculations and safety parameters determination. There are many different Criticality Safety Handbooks where such safety parameters for several different fissile mixtures are presented. The handbooks have been published to provide data and safety principles for the design, safety evaluation and licensing of operations, transport and storage of fissile and fissionable materials. The data often comprise not only critical values, but also subcritical limits and safe parameters obtained for specific conditions using criticality safety calculation codes such as SCALE system. Although many data are available for different fissile and fissionable materials, compounds, mixtures, different enrichment level, there are a lack of information regarding a uranium metal alloy, specifically UMo and UNbZr. Nowadays uranium metal alloy as fuel have been investigated under RERTR program as possible candidate to became a new fuel for research reactor due to high density. This work aim to evaluate a set of criticality safety parameters for uranium metal alloy using SCALE system and MCNP Monte Carlo code. (author)

  15. Dark excitons in transition metal dichalcogenides

    Science.gov (United States)

    Malic, Ermin; Selig, Malte; Feierabend, Maja; Brem, Samuel; Christiansen, Dominik; Wendler, Florian; Knorr, Andreas; Berghäuser, Gunnar

    2018-01-01

    Monolayer transition metal dichalcogenides (TMDs) exhibit a remarkably strong Coulomb interaction that manifests in tightly bound excitons. Due to the complex electronic band structure exhibiting several spin-split valleys in the conduction and valence band, dark excitonic states can be formed. They are inaccessibly by light due to the required spin-flip and/or momentum transfer. The relative position of these dark states with respect to the optically accessible bright excitons has a crucial impact on the emission efficiency of these materials and thus on their technological potential. Based on the solution of the Wannier equation, we present the excitonic landscape of the most studied TMD materials including the spectral position of momentum- and spin-forbidden excitonic states. We show that the knowledge of the electronic dispersion does not allow to conclude about the nature of the material's band gap since excitonic effects can give rise to significant changes. Furthermore, we reveal that an exponentially reduced photoluminescence yield does not necessarily reflect a transition from a direct to a nondirect gap material, but can be ascribed in most cases to a change of the relative spectral distance between bright and dark excitonic states.

  16. Bonding tungsten, W–Cu-alloy and copper with amorphous Fe–W alloy transition

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Song, E-mail: wangsongrain@163.com [Laboratory of Special Ceramics and Powder Metallurgy, University of Science and Technology Beijing, Beijing 100083 (China); Laboratory of Advanced Materials, Tsinghua University, Beijing 100084 (China); Ling, Yunhan, E-mail: yhling@mail.tsinghua.edu.cn [Laboratory of Advanced Materials, Tsinghua University, Beijing 100084 (China); Zhao, Pei [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100039 (China); Zang, Nanzhi [Laboratory of Advanced Materials, Tsinghua University, Beijing 100084 (China); Wang, Jianjun [Laboratory of Special Ceramics and Powder Metallurgy, University of Science and Technology Beijing, Beijing 100083 (China); Guo, Shibin [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100039 (China); Zhang, Jun [Laboratory of Advanced Materials, Tsinghua University, Beijing 100084 (China); Xu, Guiying [Laboratory of Special Ceramics and Powder Metallurgy, University of Science and Technology Beijing, Beijing 100083 (China)

    2013-05-15

    W/Cu graded materials are the leading candidate materials used as the plasma facing components in a fusion reactor. However, tungsten and copper can hardly be jointed together due to their great differences in physical properties such as coefficient of thermal expansion and melting point, and the lack of solid solubility between them. To overcome those difficulties, a new amorphous Fe–W alloy transitional coating and vacuum hot pressing (VHP) method were proposed and introduced in this paper. The morphology, composition and structure of the amorphous Fe–W alloy coating and the sintering interface of the specimens were analyzed by scanning electron microscopy (SEM), energy dispersive spectrometer (EDS) and X-ray diffraction (XRD). The thermal shock resistance of the bonded composite was also tested. The results demonstrated that amorphous structure underwent change from amorphous to nano grains during joining process, and the joined W/Cu composite can endued plasma thermal shock resistance with energy density more than 5.33 MW/m{sup 2}. It provides a new feasible technical to join refractory tungsten to immiscible copper with amorphous Fe–W alloy coating.

  17. Techniques for intergranular crack formation and assessment in alloy 600 base and alloy 182 weld metals

    International Nuclear Information System (INIS)

    Lee, Tae Hyun; Hwang, Il Soon; Kim, Hong Deok; Kim, Ji Hyun

    2015-01-01

    A technique developed to produce artificial intergranular stress corrosion cracks in structural components was applied to thick, forged alloy 600 base and alloy 182 weld metals for use in the qualification of nondestructive examination techniques for welded components in nuclear power plants. An externally controlled procedure was demonstrated to produce intergranular stress corrosion cracks that are comparable to service-induced cracks in both the base and weld metals. During the process of crack generation, an online direct current potential drop method using array probes was used to measure and monitor the sizes and shapes of the cracks. A microstructural characterization of the produced cracks revealed realistic conformation of the crack faces unlike those in machined notches produced by an electrodischarge machine or simple fatigue loading using a universal testing machine. A comparison with a destructive metallographic examination showed that the characteristics, orientations, and sizes of the intergranular cracks produced in this study are highly reproducible.

  18. Metal Compression Forming of aluminum alloys and metal matrix composites

    Energy Technology Data Exchange (ETDEWEB)

    Viswanathan, S.; Ren, W.; Porter, W.D.; Brinkman, C.R.; Sabau, A.S.; Purgert, R.M.

    2000-02-01

    Metal Compression Forming (MCF) is a variant of the squeeze casting process, in which molten metal is allowed to solidify under pressure in order to close porosity and form a sound part. However, the MCF process applies pressure on the entire mold face, thereby directing pressure on all regions of the casting and producing a uniformly sound part. The process is capable of producing parts with properties close to those of forgings, while retaining the near net shape, complexity in geometry, and relatively low cost of the casting process.

  19. Some observations on the physical metallurgy of nickel alloy weld metals

    International Nuclear Information System (INIS)

    Skillern, C.G.; Lingenfelter, A.C.

    1982-01-01

    Numerous nickel alloys play critical roles in various energy-related applications. Successful use of these alloys is almost always dependent on the availability of acceptable welding methods and welding products. An understanding of the physical metallurgy of these alloys and their weld metals and the interaction of weld metal and base metal is essential to take full advantage of the useful properties of the alloys. To illustrate this point, this paper presents data for two materials: INCONEL alloy 718 and INCONEL Welding Electrode 132. 8 figures, 9 tables

  20. Prevention of microcracking by REM addition to alloy 690 filler metal in laser clad welds

    International Nuclear Information System (INIS)

    Okauchi, Hironori; Saida, Kazuyoshi; Nishimoto, Kazutoshi

    2011-01-01

    Effect of REM addition to alloy 690 filler metal on microcracking prevention was verified in laser clad welding. Laser clad welding on alloy 132 weld metal or type 316L stainless steel was conducted using the five different filler metals of alloy 690 varying the La content. Ductility-dip crack occurred in laser clad welding when La-free alloy 690 filler metal was applied. Solidification and liquation cracks occurred contrarily in the laser cladding weld metal when the 0.07mass%La containing filler metal was applied. In case of laser clad welding on alloy 132 weld metal and type 316L stainless steel, the ductility-dip cracking susceptibility decreased, and solidification/liquation cracking susceptibilities increased with increasing the La content in the weld metal. The relation among the microcracking susceptibility, the (P+S) and La contents in every weld pass of the laser clad welding was investigated. Ductility-dip cracks occurred in the compositional range (atomic ratio) of La/(P+S) 0.99(on alloy 132 weld metal), >0.90 (on type 316L stainless steel), while any cracks did not occur at La/(P+S) being between 0.21-0.99 (on alloy 132 weld metal) 0.10-0.90 (on type 316L stainless steel). Laser clad welding test on type 316L stainless steel using alloy 690 filler metal containing the optimum La content verified that any microcracks did not occurred in the laser clad welding metal. (author)

  1. Theoretical studies of transition metal complexes with nitriles and isocyanides

    International Nuclear Information System (INIS)

    Kuznetsov, Maksim L

    2002-01-01

    Theoretical studies of transition metal complexes with nitriles and isocyanides are reviewed. The electronic structures and the nature of coordination bonds in these complexes are discussed. The correlation between the electronic structures of transition metal complexes with nitriles and isocyanides and their structural properties, spectroscopic characteristics, and reactivities are considered. The bibliography includes 121 references.

  2. Corrosion fatigue of biomedical metallic alloys: mechanisms and mitigation.

    Science.gov (United States)

    Antunes, Renato Altobelli; de Oliveira, Mara Cristina Lopes

    2012-03-01

    Cyclic stresses are often related to the premature mechanical failure of metallic biomaterials. The complex interaction between fatigue and corrosion in the physiological environment has been subject of many investigations. In this context, microstructure, heat treatments, plastic deformation, surface finishing and coatings have decisive influence on the mechanisms of fatigue crack nucleation and growth. Furthermore, wear is frequently present and contributes to the process. However, despite all the effort at elucidating the mechanisms that govern corrosion fatigue of biomedical alloys, failures continue to occur. This work reviews the literature on corrosion-fatigue-related phenomena of Ti alloys, surgical stainless steels, Co-Cr-Mo and Mg alloys. The aim was to discuss the correlation between structural and surface aspects of these materials and the onset of fatigue in the highly saline environment of the human body. By understanding such correlation, mitigation of corrosion fatigue failure may be achieved in a reliable scientific-based manner. Different mitigation methods are also reviewed and discussed throughout the text. It is intended that the information condensed in this article should be a valuable tool in the development of increasingly successful designs against the corrosion fatigue of metallic implants. Copyright © 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  3. Alkylation and arylation of alkenes by transition metal complexes

    International Nuclear Information System (INIS)

    Volkova, L.G.; Levitin, I.Ya.; Vol'pin, M.E.

    1975-01-01

    In this paper are reviewed methods of alkylation and irylation of unsaturated compounds with complexes of transition metals (Rh, Pd). Analysis of alkylation and arylation of olefines with organic derivatives of transition metals, obtained as a result of exchange reactions between organic compounds of transition metals and salts of metals of the 8th group of the periodic system, allows a conclusion as to the wide possibilities of these reactions in the synthesis of various derivatives of unsaturated compounds. In all the reactions under consideration, intermediate formation of sigma-complexes is assumed. Also considered are alkylation and arylation of olefines with organic derivatives of halogens in the presence of compounds of metals of the 8th group of the periodic system, as well as arylation of olefines with aromatic compounds in the presence of salts of transition metals

  4. The corrosion behaviour of nanograined metals and alloys

    Directory of Open Access Journals (Sweden)

    Herrasti, P.

    2012-10-01

    Full Text Available There has been considerable interest in the properties of nanocrystalline materials over the last decade. Such materials include metals and alloys with a crystal size within the order of 1 to 100 nm. The interest arises due to the substantial differences in electrical, optical and magnetic properties and also due to their high adsorption capability and chemical reactivity compared to their larger grained counterparts. In this paper, the corrosion of nanocrystalline metals and alloys is investigated and compared to the corrosion of microcrystalline materials having a similar composition. The focus is on the corrosion of nickel, copper, cobalt and iron alloys. Key aspects of different corrosion behaviour such grain boundaries and size are identified.

    En la última década ha habido un gran interes en las propiedades de materiales nanocristalinos. Estos materiales incluyen metales y aleaciones con un tamaño de cristal del orden de 1 a 100 nm. El interes por estos materiales es debido a las grandes diferencias en cuanto a sus propiedades electricas, opticas y magneticas, asi como a su alta capacidad de adsorción y reactividad química en relación a los mismos materiales con tamaños de grano mayores. En este trabajo se ha investigado y comparado la corrosión de materiales nano y microcristalinos de similar composición química. Principalmente se ha centrado en la corrosión de metales tales como niquel, cobre, cobalto y aleaciones de hierro. Se ha comprobado que los diferentes comportamientos frente al proceso de corrosión están intimamente ligados con los bordes de grano y el tamaño de dichos granos.

  5. Reentrant Metal-Insulator Transitions in Silicon -

    Science.gov (United States)

    Campbell, John William M.

    This thesis describes a study of reentrant metal -insulator transitions observed in the inversion layer of extremely high mobility Si-MOSFETs. Magneto-transport measurements were carried out in the temperature range 20mK-4.2 K in a ^3He/^4 He dilution refrigerator which was surrounded by a 15 Tesla superconducting magnet. Below a melting temperature (T_{M}~500 mK) and a critical electron density (n_{s }~9times10^{10} cm^{-2}), the Shubnikov -de Haas oscillations in the diagonal resistivity enormous maximum values at the half filled Landau levels while maintaining deep minima corresponding to the quantum Hall effect at filled Landau levels. At even lower electron densities the insulating regions began to spread and eventually a metal-insulator transition could be induced at zero magnetic field. The measurement of extremely large resistances in the milliKelvin temperature range required the use of very low currents (typically in the 10^ {-12} A range) and in certain measurements minimizing the noise was also a consideration. The improvements achieved in these areas through the use of shielding, optical decouplers and battery operated instruments are described. The transport signatures of the insulating state are considered in terms of two basic mechanisms: single particle localization with transport by variable range hopping and the formation of a collective state such as a pinned Wigner crystal or electron solid with transport through the motion of bound dislocation pairs. The experimental data is best described by the latter model. Thus the two dimensional electron system in these high mobility Si-MOSFETs provides the first and only experimental demonstration to date of the formation of an electron solid at zero and low magnetic fields in the quantum limit where the Coulomb interaction energy dominates over the zero point oscillation energy. The role of disorder in favouring either single particle localization or the formation of a Wigner crystal is explored by

  6. A vanadium alloy for the application in a liquid metal blanket of a fusion reactor

    Science.gov (United States)

    Borgstedt, H. U.; Grundmann, M.; Konys, J.; Perić, Z.

    1988-07-01

    The vanadium alloy V3Ti1Si has been corrosion tested in liquid lithium and the eutectic alloy Pb-17Li at 550°C. This alloy has a comparable corrosion resistance to the alloy V15Cr5Ti in lithium. In this molten metal it is superior to stainless steel AISI 316. In the Pb-17Li melt it is even superior to martensitic steels. The alloy has only a weak tendency to be dissolved. It is sensitive to an exchange of non-metallic elements, which causes the formation of a hardened surface layer. These chemical effects are influenced by the mass and surface ratios of the vanadium alloy to the molten metals and other structural materials. These ratios are unfavorable in the two test loops. The effects might be less pronounced in a vanadium alloy/liquid metal fusion reactor blanket.

  7. Direct Solid-State Conversion of Recyclable Metals and Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Z; Manchiraju, K [Southwire Co.

    2012-02-22

    This project is to develop and demonstrate the concept feasibility of a highly energy-efficient solid-state material synthesis process, friction stir extrusion (FSE) technology. Specifically, the project seeks to explore and demonstrate the feasibility to recycle metals, produce nano-particle dispersion strengthened bulk materials and/or nano-composite materials from powders, chips or other recyclable feedstock metals or scraps through mechanical alloying and thermo-mechanical processing in a single-step. In this study, we focused on metal recycling, producing nano-engineered wires and evaluating their potential use in future generation long-distance electric power delivery infrastructure. More comprehensive R&D on the technology fundamentals and system scale-up toward early-stage applications in two targeted “showcase” fields of use: nano engineered bulk materials and Al recycling will be considered and planned as part of Project Continuation Plan.

  8. Extreme conditions synthesis, processing and characterization of metal-nitrides and alloys of mechanical and optoelectronic importance

    International Nuclear Information System (INIS)

    Serghiou, G; McGaff, A J; Russell, N; Morniroli, J P; Frost, D J; Odling, N; Boehler, R; Troadec, D; Lathe, C

    2010-01-01

    High density nitrides and group IV alloys are of growing importance for both ceramic and optoelectronic applications. We present here new data and processes in our ongoing preparation of alkaline earth and transition metal nitrides as well as group IV alloys, here, up to 25 GPa and 2300 K. We employ large volume and laser-heated diamond anvil cell techniques for synthesis, processing tools including focused ion beam, and synchrotron X-ray diffraction, transmission electron microscopy and scanning electron microscopy for characterization.

  9. Metallacyclopentadienes: structural features and coordination in transition metal complexes

    International Nuclear Information System (INIS)

    Dolgushin, Fedor M; Yanovsky, Aleksandr I; Antipin, Mikhail Yu

    2004-01-01

    Results of structural studies of polynuclear transition metal complexes containing the metallacyclopentadiene fragment are overviewed. The structural features of the complexes in relation to the nature of the substituents in the organic moiety of the metallacycles, the nature of the transition metals and their ligand environment are analysed. The main structural characteristics corresponding to different modes of coordination of metallacyclopentadienes to one or two additional metal centres are revealed.

  10. Transport mechanisms in the laser alloying of metals

    Science.gov (United States)

    Pawlak, Ryszard; Tomczyk, Mariusz; Walczak, Maria

    2003-10-01

    This article presents some investigations of a laser alloyed surface layer of nickel doped with gold and of copper doped with aluminum. The velocity of the convectino flow in the laser pool predicted by computation implies that there may exist good miscibility for the range of components different from those obtained by the conventional method. This indicates a predominant role of the Marangoni convection for mixing elements. Some metallurgical cross-sections of Ni-Au; Mo-Au; Cu-Al; Cu-Au layers, alloyed by an Nd-YAG laser, for different contents of doping elements are presented. They may be interesting information about miscibility of these metals during laser pulse τ1=4ms.

  11. Fullerenes as a new type of ligands for transition metals

    International Nuclear Information System (INIS)

    Sokolov, V.I.

    2007-01-01

    Fullerenes are considered as ligands in transition metal π-complexes. The following aspects are discussed: metals able to form π-complexes with fullerenes (Zr, V, Ta, Mo, W, Re, Ru, etc.); haptic numbers; homo- and hetero ligand complexes; ligand compatibility with fullerenes for different metals, including fullerenes with a disturbed structure of conjugation [ru

  12. Electrically induced phase transition in GeSbTe alloys

    Energy Technology Data Exchange (ETDEWEB)

    Bruns, Gunnar; Schlockermann, Carl; Woda, Michael; Wuttig, Matthias [I. Physikalisches Institut Ia, RWTH Aachen, 52056 Aachen (Germany)

    2008-07-01

    While phase change materials have already successfully been applied in rewriteable optical data storage, they are now also promising to form the basis for novel non-volatile electrical data storage devices. To understand the physical concepts of these so-called Phase Change Random Access Memory (PCRAM) it is mandatory to gain a deeper insight into the switching process between the highly resistive amorphous and the lowly resistive crystalline phase. The fast phase transitions between the amorphous and crystalline state of GeSbTe-based alloys has so far often been studied using pulsed laser irradiation. In this work an alternative approach is employed to investigate this transition. Electrical pulses are used to rapidly and reversibly switch between the two states. For these experiments a setup was built with a specially designed contacting circuit board to meet the requirements of electrical measurements on a nanosecond timescale. The influence of the pulse parameters on the change of device resistance was determined for different initial states. Furthermore the high time resolution of 0.4 ns allows investigation of transient electrical effects like the so-called threshold switching first described by Ovshinsky in the late 1960s.

  13. Electrically induced phase transition in GeSbTe alloys

    International Nuclear Information System (INIS)

    Bruns, Gunnar; Schlockermann, Carl; Woda, Michael; Wuttig, Matthias

    2008-01-01

    While phase change materials have already successfully been applied in rewriteable optical data storage, they are now also promising to form the basis for novel non-volatile electrical data storage devices. To understand the physical concepts of these so-called Phase Change Random Access Memory (PCRAM) it is mandatory to gain a deeper insight into the switching process between the highly resistive amorphous and the lowly resistive crystalline phase. The fast phase transitions between the amorphous and crystalline state of GeSbTe-based alloys has so far often been studied using pulsed laser irradiation. In this work an alternative approach is employed to investigate this transition. Electrical pulses are used to rapidly and reversibly switch between the two states. For these experiments a setup was built with a specially designed contacting circuit board to meet the requirements of electrical measurements on a nanosecond timescale. The influence of the pulse parameters on the change of device resistance was determined for different initial states. Furthermore the high time resolution of 0.4 ns allows investigation of transient electrical effects like the so-called threshold switching first described by Ovshinsky in the late 1960s

  14. Behaviour of metals and alloys in molten fluoride media

    International Nuclear Information System (INIS)

    Fabre, St.

    2009-01-01

    Fluoride salts are contemplated for Generation IV nuclear systems which structural materials need to resist corrosion at high temperatures. Corrosion of metals in molten fluorides has been investigated in support of the Molten Salt Reactor's development and led to an optimized alloy, Hastelloy-N, but it lacked fundamentals data for the comprehension of materials' degradation mechanisms. The main objective of this work is then to help with the understanding of the corrosion behaviour of nickel and its alloys in fluoride salts. An experimental method was built up using electrochemical techniques and enabled to investigate the thermochemical conditions of the media and the influence of different parameters (media, temperature and quantity of impurities) on the behaviour of the materials. Most tests were performed in LiF-NaF mixtures between 800 and 1000 C. Pure metals can be classified as follows: Cr ≤ Fe ≤ Ni ≤ Mo ≤ W in increasing stability order and two specific behaviours were evidenced: Cr and Fe corrode in the melt, whereas Ni, Mo and W are stable, underlining the significance level of the redox couple controlling the reactions in the mixture. Moreover, corrosion current densities increase with temperature, fluoro-acidity and the quantity of dissolved oxide in the melt. Binary Ni-Cr alloys were also tested; selective attack of Cr is first observed before both elements are oxidized. Combining thermochemical calculations and experimental results enables to propose an approach to establish an optimized composition for a stable alloy. Immersion tests were finally achieved in addition to the electrochemical tests: interpretations of both methods were compared and completed. (author)

  15. Low-density to high-density transition in Ce75Al23Si2 metallic glass

    International Nuclear Information System (INIS)

    Zeng, Q S; Lou, H B; Gong, Y; Wang, X D; Jiang, J Z; Fang, Y Z; Wu, F M; Yang, K; Li, A G; Yan, S; Yu, X H; Lathe, C

    2010-01-01

    Using in situ high-pressure x-ray diffraction (XRD), we observed a pressure-induced polyamorphic transition from the low-density amorphous (LDA) state to the high-density amorphous (HDA) state in Ce 75 Al 23 Si 2 metallic glass at about 2 GPa and 300 K. The thermal stabilities of both LDA and HDA metallic glasses were further investigated using in situ high-temperature and high-pressure XRD, which revealed different pressure dependences of the onset crystallization temperature (T x ) between them with a turning point at about 2 GPa. Compared with Ce 75 Al 25 metallic glass, minor Si doping shifts the onset polyamorphic transition pressure from 1.5 to 2 GPa and obviously stabilizes both LDA and HDA metallic glasses with higher T x and changes their slopes dT x /dP. The results obtained in this work reveal another polyamorphous metallic glass system by minor alloying (e.g. Si), which could modify the transition pressure and also properties of LDA and HDA metallic glasses. The minor alloying effect reported here is valuable for the development of more polyamorphous metallic glasses, even multicomponent bulk metallic glasses with modified properties, which will trigger more investigations in this field and improve our understanding of polyamorphism and metallic glasses.

  16. Electronic specific heat of transition metal carbides

    International Nuclear Information System (INIS)

    Conte, R.

    1964-07-01

    The experimental results that make it possible to define the band structure of transition metal carbides having an NaCI structure are still very few. We have measured the electronic specific heat of some of these carbides of varying electronic concentration (TiC, either stoichiometric or non-stoichiometric, TaC and mixed (Ti, Ta) - C). We give the main characteristics (metallography, resistivity, X-rays) of our samples and we describe the low temperature specific heat apparatus which has been built. In one of these we use helium as the exchange gas. The other is set up with a mechanical contact. The two use a germanium probe for thermometer. The measurement of the temperature using this probe is described, as well as the various measurement devices. The results are presented in the form of a rigid band model and show that the density of the states at the Fermi level has a minimum in the neighbourhood of the group IV carbides. (author) [fr

  17. Electrical valley filtering in transition metal dichalcogenides

    Science.gov (United States)

    Hsieh, Tzu-Chi; Chou, Mei-Yin; Wu, Yu-Shu

    2018-03-01

    This work investigates the feasibility of electrical valley filtering for holes in transition metal dichalcogenides. We look specifically into the scheme that utilizes a potential barrier to produce valley-dependent tunneling rates, and perform the study with both a k .p -based analytic method and a recursive Green's function-based numerical method. The study yields the transmission coefficient as a function of incident energy and transverse wave vector, for holes going through lateral quantum barriers oriented in either armchair or zigzag directions, in both homogeneous and heterogeneous systems. The main findings are the following: (1) The tunneling current valley polarization increases with increasing barrier width or height; (2) both the valley-orbit interaction and band structure warping contribute to valley-dependent tunneling, with the former contribution being manifest in structures with asymmetric potential barriers, and the latter being orientation dependent and reaching maximum for transmission in the armchair direction; and (3) for transmission ˜0.1 , a tunneling current valley polarization of the order of 10 % can be achieved.

  18. Gas phase structure of transition metal dihydrides

    International Nuclear Information System (INIS)

    Demuynck, J.; Schaefer, H.F. III

    1980-01-01

    ESR and infrared spectroscopic measurements on matrix isolated MnH 2 and CrH 2 have recently suggested that these simple molecules may be bent. This result would be the opposite of that found experimentally for the transition metal dihalides MX 2 , known to be linear. Here the geometrical structure of MnH 2 has been investigated by molecular electronic structure theory. A large contracted Gaussian basis set [Mn(14s11p6p/9s8p3d), H(5s1p/3s1p)] was used in conjunction with self-consistent field and configuration interaction methods. These suggest that the 6 A 1 ground state of MnH 2 is linear. Further studies of the 3 A 1 state (one of several low-lying states) of TiH 2 also favor linearity, although this potential energy surface is extremely flat with respect to bending. Thus it appears probable that most MH 2 molecules, like the related MX 2 family, are linear

  19. Properties of Transition Metal Doped Alumina

    Science.gov (United States)

    Nykwest, Erik; Limmer, Krista; Brennan, Ray; Blair, Victoria; Ramprasad, Rampi

    Crystallographic texture can have profound effects on the properties of a material. One method of texturing is through the application of an external magnetic field during processing. While this method works with highly magnetic systems, doping is required to couple non-magnetic systems with the external field. Experiments have shown that low concentrations of rare earth (RE) dopants in alumina powders have enabled this kind of texturing. The magnetic properties of RE elements are directly related to their f orbital, which can have as many as 7 unpaired electrons. Since d-block elements can have as many as 5 unpaired electrons the effects of substitutional doping of 3d transition metals (TM) for Al in alpha (stable) and theta (metastable) alumina on the local structure and magnetic properties, in addition to the energetic cost, have been calculated by performing first-principles calculations based on density functional theory. This study has led to the development of general guidelines for the magnetic moment distribution at and around the dopant atom, and the dependence of this distribution on the dopant atom type and its coordination environment. It is anticipated that these findings can aid in the selection of suitable dopants help to guide parallel experimental efforts. This project was supported in part by an internship at the Army Research Laboratory, administered by the Oak Ridge Institute for Science and Education, along with a grant of computer time from the DoD High Performance Computing Modernization Program.

  20. Photocatalysis of Modified Transition Metal Oxide Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Batzill, Matthias [Univ. of South Florida, Tampa, FL (United States). Dept. of Physics

    2018-02-28

    The goal of this project has been to establish a cause-effect relationship for photocatalytic activity variations of different structures of the same material; and furthermore gain fundamental understanding on modification of photocatalysts by compositional or surface modifications. The reasoning is that gaining atomic scale understanding of how surface and bulk modifications alter the photo reactivity will lead to design principles for next generation photocatalysts. As a prototypical photocatalyst the research focused on TiO2 synthesized in well-defined single crystalline form to enable fundamental characterizations.We have obtained results in the following areas: (a) Preparation of epitaxial anatase TiO2 samples by pulsed laser deposition. (b) Comparison of hydrogen diffusion on different crystallographic surface. (c) Determining the stability of the TiO2(011)-2x1 reconstruction upon interactions with adsorbates. (d) Characterization of adsorption and (thermal and photo) reaction of molecules with nitro-endgroups, (e) Exploring the possibility of modifying planar model photocatalyst surfaces with graphene to enable fundamental studies on reported enhanced photocatalytic activities of graphene modified transition metal oxides, (f) gained fundamental understanding on the role of crystallographic polymorphs of the same material for their photocatalytic activities.

  1. Nucleic acid-functionalized transition metal nanosheets for biosensing applications.

    Science.gov (United States)

    Mo, Liuting; Li, Juan; Liu, Qiaoling; Qiu, Liping; Tan, Weihong

    2017-03-15

    In clinical diagnostics, as well as food and environmental safety practices, biosensors are powerful tools for monitoring biological or biochemical processes. Two-dimensional (2D) transition metal nanomaterials, including transition metal chalcogenides (TMCs) and transition metal oxides (TMOs), are receiving growing interest for their use in biosensing applications based on such unique properties as high surface area and fluorescence quenching abilities. Meanwhile, nucleic acid probes based on Watson-Crick base-pairing rules are also being widely applied in biosensing based on their excellent recognition capability. In particular, the emergence of functional nucleic acids in the 1980s, especially aptamers, has substantially extended the recognition capability of nucleic acids to various targets, ranging from small organic molecules and metal ions to proteins and cells. Based on π-π stacking interaction between transition metal nanosheets and nucleic acids, biosensing systems can be easily assembled. Therefore, the combination of 2D transition metal nanomaterials and nucleic acids brings intriguing opportunities in bioanalysis and biomedicine. In this review, we summarize recent advances of nucleic acid-functionalized transition metal nanosheets in biosensing applications. The structure and properties of 2D transition metal nanomaterials are first discussed, emphasizing the interaction between transition metal nanosheets and nucleic acids. Then, the applications of nucleic acid-functionalized transition metal nanosheet-based biosensors are discussed in the context of different signal transducing mechanisms, including optical and electrochemical approaches. Finally, we provide our perspectives on the current challenges and opportunities in this promising field. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Calcium-Antimony Alloys as Electrodes for Liquid Metal Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Ouchi, T; Kim, H; Ning, XH; Sadoway, DR

    2014-08-08

    The performance of a calcium-antimony (Ca-Sb) alloy serving as the positive electrode in a Ca vertical bar vertical bar Sb liquid metal battery was investigated in an electrochemical cell, Ca(in Bi) vertical bar LiCl-NaCl-CaCl2 vertical bar Ca(in Sb). The equilibrium potential of the Ca-Sb electrode was found to lie on the interval, 1.2-0.95 V versus Ca, in good agreement with electromotive force (emf) measurements in the literature. During both alloying and dealloying of Ca at the Sb electrode, the charge transfer and mass transport at the interface are facile enough that the electrode potential varies linearly from 0.95 to 0.75 V vs Ca(s) as current density varies from 50 to 500 mA cm(-2). The discharge capacity of the Ca vertical bar vertical bar Sb cells increases as the operating temperature increases due to the higher solubility and diffusivity of Ca in Sb. The cell was successfully cycled with high coulombic efficiency (similar to 100%) and small fade rate (<0.01% cycle(-1)). These data combined with the favorable costs of these metals and salts make the Ca vertical bar vertical bar Sb liquid metal battery attractive for grid-scale energy storage. (C) The Author(s) 2014. Published by ECS. All rights reserved.

  3. Electronic structure of metallic glasses

    International Nuclear Information System (INIS)

    Oelhafen, P.; Lapka, R.; Gubler, U.; Krieg, J.; DasGupta, A.; Guentherodt, H.J.; Mizoguchi, T.; Hague, C.; Kuebler, J.; Nagel, S.R.

    1981-01-01

    This paper is organized in six sections and deals with (1) the glassy transition metal alloys, their d-band structure, the d-band shifts on alloying and their relation to the alloy heat of formation (ΔH) and the glass forming ability, (2) the glass to crystal phase transition viewed by valence band spectroscopy, (3) band structure calculations, (4) metallic glasses prepared by laser glazing, (5) glassy normal metal alloys, and (6) glassy hydrides

  4. Direct Solid-State Conversion of Recyclable Metals and Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kiran Manchiraju

    2012-03-27

    Friction Stir Extrusion (FSE) is a novel energy-efficient solid-state material synthesis and recycling technology capable of producing large quantity of bulk nano-engineered materials with tailored, mechanical, and physical properties. The novelty of FSE is that it utilizes the frictional heating and extensive plastic deformation inherent to the process to stir, consolidate, mechanically alloy, and convert the powders, chips, and other recyclable feedstock materials directly into useable product forms of highly engineered materials in a single step (see Figure 1). Fundamentally, FSE shares the same deformation and metallurgical bonding principles as in the revolutionary friction stir welding process. Being a solid-state process, FSE eliminates the energy intensive melting and solidification steps, which are necessary in the conventional metal synthesis processes. Therefore, FSE is highly energy-efficient, practically zero emissions, and economically competitive. It represents a potentially transformational and pervasive sustainable manufacturing technology for metal recycling and synthesis. The goal of this project was to develop the technological basis and demonstrate the commercial viability of FSE technology to produce the next generation highly functional electric cables for electricity delivery infrastructure (a multi-billion dollar market). Specific focus of this project was to (1) establish the process and material parameters to synthesize novel alloys such as nano-engineered materials with enhanced mechanical, physical, and/or functional properties through the unique mechanical alloying capability of FSE, (2) verifying the expected major energy, environmental, and economic benefits of FSE technology for both the early stage 'showcase' electric cable market and the anticipated pervasive future multi-market applications across several industry sectors and material systems for metal recycling and sustainable manufacturing.

  5. Preparation and characterization of several transition metal oxides

    International Nuclear Information System (INIS)

    Wold, A.; Dwight, K.

    1989-01-01

    The structure-property relationships of several conducting transition metal oxides, as well as their preparative methods, are presented in this paper. The importance of preparing homogeneous phases with precisely known stoichiometry is emphasized. A comparison is also made of the various techniques used to prepare both polycrystalline and single crystal samples. For transition metal oxides, the metallic properties are discussed either in terms of metal-metal distances which are short enough to result in metallic behavior, or in terms of the formation of a π* conduction band resulting from covalent metal-oxygen interactions. Metallic behavior is observed when the conduction bands are populated with either electrons or holes. The concentration of these carriers can be affected by either cation or anion substitutions. The discussion in this presentation will be limited to the elements Re, Ti, V, Cr, Mo, and Cu

  6. Ultrafast magnetization dynamics of lanthanide metals and alloys

    Energy Technology Data Exchange (ETDEWEB)

    Sultan, Muhammad

    2012-05-14

    In this study, the laser-induced magnetization dynamics of the lanthanide ferromagnets Gadolinium (Gd), Terbium (Tb) and their alloys is investigated using femtosecond (fs) time-resolved x-ray magnetic circular dichroism (XMCD), the magneto-optical Kerr effect (MOKE) and magnetic second harmonic generation (MSHG). The magnetization dynamics is analyzed from the time scale of a few fs up to several hundred picoseconds (ps). The contributions of electrons, phonons, spin fluctuations, as well as the temporal regimes corresponding to the spin-orbit and exchange interactions are disentangled. In addition to possible applications in magnetic storage devices, understanding magnetization dynamics in lanthanides is also important because of their different magnetic structure compared to well-studied itinerant ferromagnets. Lanthanides are model Heisenberg-ferromagnets with localized 4f magnetic moments and long range magnetic ordering through indirect exchange interaction. By optical excitation of the conduction electrons, which mediate the exchange interaction, and studying the induced dynamics of the localized 4f and delocalized 5d6s magnetic moments, one can obtain insight into the angular momentum transfer at ultrafast time scales. Moreover, lanthanides offer the possibility to tune spin-lattice coupling via the 4f shell occupation and the concomitant changes in the 4f spin and orbital moments due to Hund's rules. Utilizing this fact, the importance of spin-lattice coupling in laser-induced demagnetization is also analyzed by comparing the magnetization dynamics in Gd and Tb. By investigating the magnetization dynamics of localized 4f moments of Gd and Tb using time-resolved XMCD, it is found that the demagnetization proceeds in both metals in two time scales, following fs laser excitation, which are classified as: (i) non-equilibrium (t > 1 ps), with respect to equilibration of electron and phonon temperatures. The

  7. Scalable shape- and size-controlled synthesis of metal nano-alloys

    KAUST Repository

    Bakr, Osman M.

    2016-01-21

    Embodiments of the present disclosure provide for a continuous-flow reactor, methods of making metal nano-alloys, and metal nano-alloys. An embodiment of the continuous-flow reactor includes a first tubular component having a tubular inlet and a tubular outlet, and a heated tube-in-tube gas reactor fluidly connected to the first tubular component, wherein the heated tube-in-tube gas reactor comprises an inner tube having a gas permeable surface and an outer tube. An embodiment of the method of producing metal nano-alloys, includes contacting a reducible metal precursor and a reducing fluid in a continuous-flow reactor to form a mixed solution; and flowing the mixed solution through the continuous-flow reactor for a residence time to form the metal nano-alloys. An embodiment of the composition includes a plurality of metal nano-alloys having a monodisperse size distribution and a uniform shape distribution.

  8. Thermochemistry of some binary lead and transition metal compounds by high temperature direct synthesis calorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Meschel, S.V., E-mail: meschel@jfi.uchicago.edu [Illinois Institute of Technology,Thermal Processing Technology Center, 10 W. 32nd Street, Chicago, Illinois 60615 (United States); Gordon Center for Integrated Science, 929 E. 57th Street, Chicago, Illinois 60637 (United States); Nash, P. [Illinois Institute of Technology,Thermal Processing Technology Center, 10 W. 32nd Street, Chicago, Illinois 60615 (United States); Chen, X.Q.; Wei, P. [Materials processing Modeling Division, Shenyang National Laboratory for Materials Science, Institute of Metals Research, 72 Wenhua Road, Shenyang City (China)

    2015-06-05

    Highlights: • Studied binary lead-transition metal alloys by high temperature calorimetry. • Determined the enthalpies of formation of 8 alloys. • Compared the measurements with predictions by the model of Miedema and by the ab initio method. - Abstract: The standard enthalpies of formation of some binary lead and transition metal compounds have been measured by high temperature direct synthesis calorimetry. The reported results are: Pb{sub 3}Sc{sub 5}(−61.3 ± 2.9); PbTi{sub 4}(−16.6 ± 2.4); Pb{sub 3}Y{sub 5}(−64.8 ± 3.6); Pb{sub 3}Zr{sub 5}(−50.6 ± 3.1); PbNb{sub 3}(−10.4 ± 3.4); PbRh(−16.5 ± 3.3); PbPd{sub 3}(−29.6 ± 3.1); PbPt(−34.7 ± 3.3) kJ/mole of atoms. We will compare our results with previously published measurements. We will also compare the experimental measurements with enthalpies of formation of transition metal compounds with elements in the same vertical column in the periodic table. We will compare our measurements with predicted values on the basis of the semi empirical model of Miedema and coworkers and with ab initio values when available.

  9. Enhancement of surface integrity of titanium alloy with copper by means of laser metal deposition process

    CSIR Research Space (South Africa)

    Erinosho, MF

    2016-04-01

    Full Text Available The laser metal deposition process possesses the combination of metallic powder and laser beam respectively. However, these combinations create an adhesive bonding that permanently solidifies the laser-enhanced-deposited powders. Titanium alloys (Ti...

  10. First-principles study on the phase transition, elastic properties and electronic structure of Pt{sub 3}Al alloys under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yanjun [Key Laboratory of Oil and Gas Equipment of Ministry of Education, Southwest Petroleum University, Chengdu, Sichuan 610500 (China); Huang, Huawei [National Key Laboratory for Nuclear Fuel and Materials, Nuclear Power of China, Chengdu, Sichuan 610041 (China); Pan, Yong, E-mail: yongpanyn@163.com [State Key Laboratory of Advanced Technologies for Comprehensive Utilization of Platinum Metals, Kunming 650106 (China); Zhao, Guanghui; Liang, Zheng [Key Laboratory of Oil and Gas Equipment of Ministry of Education, Southwest Petroleum University, Chengdu, Sichuan 610500 (China)

    2014-06-01

    Highlights: • The phase transition of Pt{sub 3}Al alloys occurs at 60 GPa. • The elastic modulus of Pt{sub 3}Al alloys increase with increasing pressure. • The cubic structure has good resistance to volume deformation under high pressure. • The pressure enhances the hybridization between Pt atom and Al atom. - Abstract: The phase transition, formation enthalpies, elastic properties and electronic structure of Pt{sub 3}Al alloys are studied using first-principle approach. The calculated results show that the pressure leads to phase transition from tetragonal structure to cubic structure at 60 GPa. With increasing pressure, the elastic constants, bulk modulus and shear modulus of these Pt{sub 3}Al alloys increase linearly and the bond lengths of Pt–Al metallic bonds and the peak at E{sub F} decrease. The cubic Pt{sub 3}Al alloy has excellent resistance to volume deformation under high pressure. We suggest that the phase transition is derived from the hybridization between Pt and Al atoms for cubic structure is stronger than that of tetragonal structure and forms the strong Pt–Al metallic bonds under high pressure.

  11. First-principles study on the phase transition, elastic properties and electronic structure of Pt3Al alloys under high pressure

    International Nuclear Information System (INIS)

    Liu, Yanjun; Huang, Huawei; Pan, Yong; Zhao, Guanghui; Liang, Zheng

    2014-01-01

    Highlights: • The phase transition of Pt 3 Al alloys occurs at 60 GPa. • The elastic modulus of Pt 3 Al alloys increase with increasing pressure. • The cubic structure has good resistance to volume deformation under high pressure. • The pressure enhances the hybridization between Pt atom and Al atom. - Abstract: The phase transition, formation enthalpies, elastic properties and electronic structure of Pt 3 Al alloys are studied using first-principle approach. The calculated results show that the pressure leads to phase transition from tetragonal structure to cubic structure at 60 GPa. With increasing pressure, the elastic constants, bulk modulus and shear modulus of these Pt 3 Al alloys increase linearly and the bond lengths of Pt–Al metallic bonds and the peak at E F decrease. The cubic Pt 3 Al alloy has excellent resistance to volume deformation under high pressure. We suggest that the phase transition is derived from the hybridization between Pt and Al atoms for cubic structure is stronger than that of tetragonal structure and forms the strong Pt–Al metallic bonds under high pressure

  12. Metal Injection Molding (MIM of Magnesium and Its Alloys

    Directory of Open Access Journals (Sweden)

    Martin Wolff

    2016-05-01

    Full Text Available Current research has highlighted that magnesium and its alloys as biodegradable material are highly suitable for biomedical applications. The new material fully degrades into nontoxic elements and offers material properties matching those of human bone tissue. As biomedical implants are rather small and complex in shape, the metal injection molding (MIM technique seems to be well suited for the near net shape mass production of such parts. Furthermore, MIM of Mg-alloys is of high interest in further technical fields. This study focusses on the performance of MIM-processing of magnesium alloy powders. It includes Mg-specific development of powder blending, feedstock preparation, injection molding, solvent and thermal debinding and final sintering. Even though Mg is a highly oxygen-affine material forming a stable oxide layer on each particle surface, the material can be sintered to nearly dense parts, providing mechanical properties matching those of as cast material. An ultimate tensile strength of 142 MPa, yield strength of 67 MPa, elastic modulus of 40 GPa and 8% elongation at fracture could be achieved using novel organic polymer binders for the feedstock preparation. Thus, first implant demonstrator parts could be successfully produced by the MIM technique.

  13. Protection of zirconium and its alloys by metallic coatings

    International Nuclear Information System (INIS)

    Loriers, H.; Lafon, A.; Darras, R.; Baque, P.

    1968-01-01

    At 600 deg. C in an atmosphere of carbon dioxide, zirconium and its alloys undergo corrosion which presents two aspects simultaneously: - formation of a surface layer of zirconia, - dissolution of oxygen in the alloy sub-layer leading to brittleness. The two phenomena greatly restrict the possibilities of using zirconium alloys as a canning material for fuel elements in CO 2 cooled nuclear reactors. An attempt has thus been made to limit, and perhaps to suppress, the corrosion effects in zirconium under these conditions by protecting it with metallic coatings. A first attempt to obtain a protection using copper-based coatings did not produce the result hoped for. Aluminium coatings produced by vacuum evaporation, followed by a consolidating thermal treatment make it possible to prevent the formation of the zirconia layer, but they do not eliminate the hardening effect produced by oxygen diffusion. On the other hand, electrolytically produced chromium deposits whose adherence is improved by a thermal vacuum treatment, counteract both these phenomena simultaneously. A similar result has been obtained with coatings of molybdenum produced by the technique of high-frequency inductive plasma sputtering. The particular effectiveness of the last two types of coatings is due to their structures characterized by the existence of an adherent film of chromium or molybdenum in the free state. (authors) [fr

  14. Tethered Transition Metals Promoted Photocatalytic System for Efficient Hydrogen Evolutions

    KAUST Repository

    Takanabe, Kazuhiro; Isimjan, Tayirjan; Yu, Weili; Del Gobbo, Silvano; Xu, Wei

    2015-01-01

    The present invention is directed, at least in part, to a process for improving the efficiency of a photocatalyst (a semiconductor photocatalyst) by tethering (depositing) a metal (e.g., metal ions of a late transition metal, such as nickel) to the semiconductor (photocatalyst) surface through the use of an organic ligand. More specifically, 1,2-ethanedithiol (EDT) functions as an excellent molecular linker (organic ligand) to attach a transition metal complex (e.g., nickel (Ni.sup.2+ ions)) to the semiconductor surface, which can be in the form of a cadmium sulfide surface. The photocatalyst has particular utility in generating hydrogen from H.sub.2S.

  15. Tethered Transition Metals Promoted Photocatalytic System for Efficient Hydrogen Evolutions

    KAUST Repository

    Takanabe, Kazuhiro

    2015-03-05

    The present invention is directed, at least in part, to a process for improving the efficiency of a photocatalyst (a semiconductor photocatalyst) by tethering (depositing) a metal (e.g., metal ions of a late transition metal, such as nickel) to the semiconductor (photocatalyst) surface through the use of an organic ligand. More specifically, 1,2-ethanedithiol (EDT) functions as an excellent molecular linker (organic ligand) to attach a transition metal complex (e.g., nickel (Ni.sup.2+ ions)) to the semiconductor surface, which can be in the form of a cadmium sulfide surface. The photocatalyst has particular utility in generating hydrogen from H.sub.2S.

  16. Lithium alloys and metal oxides as high-capacity anode materials for lithium-ion batteries

    International Nuclear Information System (INIS)

    Liang, Chu; Gao, Mingxia; Pan, Hongge; Liu, Yongfeng; Yan, Mi

    2013-01-01

    Highlights: •Progress in lithium alloys and metal oxides as anode materials for lithium-ion batteries is reviewed. •Electrochemical characteristics and lithium storage mechanisms of lithium alloys and metal oxides are summarized. •Strategies for improving electrochemical lithium storage properties of lithium alloys and metal oxides are discussed. •Challenges in developing lithium alloys and metal oxides as commercial anodes for lithium-ion batteries are pointed out. -- Abstract: Lithium alloys and metal oxides have been widely recognized as the next-generation anode materials for lithium-ion batteries with high energy density and high power density. A variety of lithium alloys and metal oxides have been explored as alternatives to the commercial carbonaceous anodes. The electrochemical characteristics of silicon, tin, tin oxide, iron oxides, cobalt oxides, copper oxides, and so on are systematically summarized. In this review, it is not the scope to retrace the overall studies, but rather to highlight the electrochemical performances, the lithium storage mechanism and the strategies in improving the electrochemical properties of lithium alloys and metal oxides. The challenges and new directions in developing lithium alloys and metal oxides as commercial anodes for the next-generation lithium-ion batteries are also discussed

  17. Investigation of irradiation strengthening of bcc metals and their alloys. Progress report, January 1977--October 1977

    International Nuclear Information System (INIS)

    1977-01-01

    Progress is reported in the areas of (a) the effect of neutron damage on the dislocation kinetics in bcc metals and their alloys, and (b) the effect of 3 He on the deformation characteristics of body centered cubic metals and their alloys. Results obtained from these projects are discussed

  18. Directed light fabrication of refractory metals and alloys

    International Nuclear Information System (INIS)

    Fonseca, J.C.; Lewis, G.K.; Dickerson, P.G.; Nemec, R.B.

    1999-01-01

    This report covers deposition of refractory pure metals and alloys using the Directed Light Fabrication (DLF) process and represents progress in depositing these materials through September 1998. In extending the DLF process technology to refractory metals for producing fully dense, structurally sound deposits, several problems have become evident. (1) Control of porosity in DLF-deposited refractory metal is difficult because of gases, apparently present in commercially purchased refractory metal powder starting materials. (2) The radiant heat from the molten pool during deposition melts the DLF powder feed nozzle. (3) The high reflectivity of molten refractory metals, at the Nd-YAG laser wavelength (1.06microm), produces damaging back reflections to the optical train and fiber optic delivery system that can terminate DLF processing. (4) The current limits on the maximum available laser power to prevent back reflection damage limit the parameter range available for densification of refractory metals. The work to date concentrated on niobium, W-25Re, and spherodized tungsten. Niobium samples, made from hydride-dehydride powder, had minimal gas porosity and the deposition parameters were optimized; however, test plates were not made at this time. W-25Re samples, containing sodium and potassium from a precipitation process, were made and porosity was a problem for all samples although minimized with some process parameters. Deposits made from potassium reduced tungsten that was plasma spherodized were made with minimized porosity. Results of this work indicate that further gas analysis of starting powders and de-gassing of starting powders and/or gas removal during deposition of refractory metals is required

  19. Directed light fabrication of refractory metals and alloys

    International Nuclear Information System (INIS)

    Fonseca, J.C.; Lewis, G.K.; Dickerson, P.G.; Nemec, R.B.

    1999-01-01

    This report covers work performed under Order No. FA0000020 AN Contract DE-AC12-76SN00052 for deposition of refractory pure metals and alloys using the Directed Light Fabrication (DLF) process and represents the progress in depositing these materials through September 1998. In extending the DLF process technology to refractory metals for producing fully dense, structurally sound deposits, several problems have become evident. 1. Control of porosity in DLF-deposited refractory metal is difficult because of gases, apparently present in commercially purchased refractory metal powder starting materials. 2. The radiant heat from the molten pool during deposition melts the DLF powder feed nozzle. 3. The high reflectivity of molten refractory metals, at the Nd-YAG laser wavelength (1.06microm), produces damaging back reflections to the optical train and fiber optic delivery system that can terminate DLF processing. 4. The current limits on the maximum available laser power to prevent back reflection damage limit the parameter range available for densification of refractory metals. The work to date concentrated on niobium, W-25Re, and spherodized tungsten. Niobium samples, made from hydride-dehydride powder, had minimal gas porosity and the deposition parameters were optimized; however, test plates were not made at this time. W-25Re samples, containing sodium and potassium from a precipitation process, were made and porosity was a problem for all samples although minimized with some process parameters. Deposits made from potassium reduced tungsten that was plasma spherodized were made with minimized porosity. Results of this work indicate that further gas analysis of starting powders and de-gassing of starting powders and/or gas removal during deposition of refractory metals is required

  20. The metallicities of stars with and without transiting planets

    DEFF Research Database (Denmark)

    Buchhave, Lars A.; Latham, David W.

    2015-01-01

    Host star metallicities have been used to infer observational constraints on planet formation throughout the history of the exoplanet field. The giant planet metallicity correlation has now been widely accepted, but questions remain as to whether the metallicity correlation extends to the small...... terrestrial-sized planets. Here, we report metallicities for a sample of 518 stars in the Kepler field that have no detected transiting planets and compare their metallicity distribution to a sample of stars that hosts small planets (). Importantly, both samples have been analyzed in a homogeneous manner...... using the same set of tools (Stellar Parameters Classification tool). We find the average metallicity of the sample of stars without detected transiting planets to be and the sample of stars hosting small planets to be . The average metallicities of the two samples are indistinguishable within...

  1. Evaluation of different finish line designs in base metal alloys

    Directory of Open Access Journals (Sweden)

    Aghandeh R

    1999-06-01

    Full Text Available This investigation was performed according to the widespread application of base metal alloys"nand few articles published about the marginal integrity of restorations fabricated by these metals."nThree standard dies of a maxillary first premolar were prepared with a flat shoulder finish line in buccal"naspect and chamfer in palatal. One of them left with no change. On the buccal aspect of the second and"nthird dies 135?and 1607 bevel were added respectively"nUsing dual wax technique, nine wax patterns were formed on each die and casting procedure of selected"nnon precious alloy was performed by centrifugal method. Marginal gaps of each copping seated on dies"nwere measured by scanning electron microscope (SEM with X500 magnification. Measurements were"ndone on three areas of marked dies on buccal aspect. Measurement son palatal aspect was done on"nmarked midpalatal point as control."nResults and statistical analysis showed no significant difference among marginal gaps in lingual aspect."nBut on the buccal aspect there were statistically significant differences among the groups (P<0.001. Flat"nshoulder had the best marginal integrity (mean 4 micron. Shoulder with 160' bevel had the most marginal"ngap (mean 26.5 micron and shoulder with 1357 bevel was between two other groups (mean 15.7 micron.

  2. Ultrashort pulse laser machining of metals and alloys

    Science.gov (United States)

    Perry, Michael D.; Stuart, Brent C.

    2003-09-16

    The invention consists of a method for high precision machining (cutting, drilling, sculpting) of metals and alloys. By using pulses of a duration in the range of 10 femtoseconds to 100 picoseconds, extremely precise machining can be achieved with essentially no heat or shock affected zone. Because the pulses are so short, there is negligible thermal conduction beyond the region removed resulting in negligible thermal stress or shock to the material beyond approximately 0.1-1 micron (dependent upon the particular material) from the laser machined surface. Due to the short duration, the high intensity (>10.sup.12 W/cm.sup.2) associated with the interaction converts the material directly from the solid-state into an ionized plasma. Hydrodynamic expansion of the plasma eliminates the need for any ancillary techniques to remove material and produces extremely high quality machined surfaces with negligible redeposition either within the kerf or on the surface. Since there is negligible heating beyond the depth of material removed, the composition of the remaining material is unaffected by the laser machining process. This enables high precision machining of alloys and even pure metals with no change in grain structure.

  3. Microstructure and mechanical property change of dissimilar metal welds Alloy 600 - Alloy 182 - A508 Gr. 3 according to thermal aging effect at 400 .deg. C

    Energy Technology Data Exchange (ETDEWEB)

    Ham, Jun Hyuk; Choi, Kyoung Joon; Kim, Ji Hyun [Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of)

    2015-10-15

    To prevent such critical matters above mentioned, investigation about degradation mechanism of materials by thermal aging should be conducted. However, there are no sufficient studies on this field. Therefore, the final goal of this study is to investigate microstructure along the DMW undergone thermal aging process. Firstly, in order to get a reference data for further comparison analysis which is expected to show degradation mechanism of the weld joint, un-heated weld joint was investigated with several instruments, Vickers hardness tester, scanning electron microscope (SEM), and an energy-dispersive X-ray spectrometer (EDS). Detail instrumental analysis in Alloy 600 - Alloy 182 - A508 Gr. 3 DMW joint were performed in order to investigate microstructure and mechanical properties of material. Following conclusions can be drawn from this study. Alloy 182 has austenitic dendrite structure which is formed by heat flow during welding process. Type-II boundaries were observed at the interface between Alloy 182 and A508 Gr. 3. Chemical composition shows rapid transition at the interface which makes 3000 µm of chromium dilution zone. Microstructure of A508 Gr. 3 was investigated from the interface between Alloy 182 to base metal.

  4. Ductility dip cracking susceptibility of Inconel Filler Metal 52 and Inconel Alloy 690

    International Nuclear Information System (INIS)

    Kikel, J.M.; Parker, D.M.

    1998-01-01

    Alloy 690 and Filler Metal 52 have become the materials of choice for commercial nuclear steam generator applications in recent years. Filler Metal 52 exhibits improved resistance to weld solidification and weld-metal liquation cracking as compared to other nickel-based filler metals. However, recently published work indicates that Filler Metal 52 is susceptible to ductility dip cracking (DDC) in highly restrained applications. Susceptibility to fusion zone DDC was evaluated using the transverse varestraint test method, while heat affected zone (HAZ) DDC susceptibility was evaluated using a newly developed spot-on-spot varestraint test method. Alloy 690 and Filler Metal 52 cracking susceptibility was compared to the DDC susceptibility of Alloy 600, Filler Metal 52, and Filler Metal 625. In addition, the effect of grain size and orientation on cracking susceptibility was also included in this study. Alloy 690, Filler Metal 82, Filler Metal 52, and Filler Metal 625 were found more susceptible to fusion zone DDC than Alloy 600. Filler Metal 52 and Alloy 690 were found more susceptible to HAZ DDC when compared to wrought Alloy 600, Filler Metal 82 and Filler Metal 625. Filler Metal 52 exhibited the greatest susceptibility to HAZ DDC of all the weld metals evaluated. The base materials were found much more resistant to HAZ DDC in the wrought condition than when autogenously welded. A smaller grain size was found to offer greater resistance to DDC. For weld metal where grain size is difficult to control, a change in grain orientation was found to improve resistance to DDC

  5. Spectrum of ferromagnetic transition metal magnetic excitations and neutron scattering

    International Nuclear Information System (INIS)

    Kuzemskij, A.L.

    1979-01-01

    Quantum statistical models of ferromagnetic transition metals as well as methods of their solutions are reviewed. The correspondence of results on solving these models and the data on scattering thermal neutrons in ferromagnetic is discussed

  6. A review on transition-metal mediated synthesis of quinolines

    Indian Academy of Sciences (India)

    Rashmi Sharma

    2018-06-14

    Jun 14, 2018 ... Special Section on Transition Metal Catalyzed Synthesis of Medicinally Relevant Molecules. A review on ...... iron(III) chloride and TEMPO oxoammonium salt as an .... propyl-3-ethylquinoline (209) in presence of platinum.

  7. On metal-insulator transition in cubic fullerides

    Science.gov (United States)

    Iwahara, Naoya; Chibotaru, Liviu

    The interplay between degenerate orbital and electron correlation is a key to characterize the electronic phases in, for example, transition metal compounds and alkali-doped fullerides. Besides, the degenerate orbital couples to spin and lattice degrees of freedom ,giving rise to exotic phenomena. Here, we develop the self-consistent Gutzwiller approach for the simultaneous treatment of the Jahn-Teller effect and electron correlation, and apply the methodology to reveal the nature of the ground electronic state of fullerides. For small Coulomb repulsion on site U, the fulleride is quasi degenerate correlated metal. With increase of U, we found the quantum phase transition from the metallic phase to JT split phase. In the latter, the Mott transition (MT) mainly develops in the half-filled subband, whereas the empty and the completely filled subbands are almost uninvolved. Therefore, we can qualify the metal-insulator transition in fullerides as an orbital selective MT induced by JT effect.

  8. The evaluation of the use of metal alloy fuels in pressurized water reactors

    International Nuclear Information System (INIS)

    Lancaster, D.

    1992-01-01

    The use of metal alloy fuels in a PWR was investigated. It was found that it would be feasible and competitive to design PWRs with metal alloy fuels but that there seemed to be no significant benefits. The new technology would carry with it added economic uncertainty and since no large benefits were found it was determined that metal alloy fuels are not recommended. Initially, a benefit was found for metal alloy fuels but when the oxide core was equally optimized the benefit faded. On review of the optimization of the current generation of ''advanced reactors,'' it became clear that reactor design optimization has been under emphasized. Current ''advanced reactors'' are severely constrained. The AP-600 required the use of a fuel design from the 1970's. In order to find the best metal alloy fuel design, core optimization became a central effort. This work is ongoing

  9. The evaluation of the use of metal alloy fuels in pressurized water reactors. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Lancaster, D.

    1992-10-26

    The use of metal alloy fuels in a PWR was investigated. It was found that it would be feasible and competitive to design PWRs with metal alloy fuels but that there seemed to be no significant benefits. The new technology would carry with it added economic uncertainty and since no large benefits were found it was determined that metal alloy fuels are not recommended. Initially, a benefit was found for metal alloy fuels but when the oxide core was equally optimized the benefit faded. On review of the optimization of the current generation of ``advanced reactors,`` it became clear that reactor design optimization has been under emphasized. Current ``advanced reactors`` are severely constrained. The AP-600 required the use of a fuel design from the 1970`s. In order to find the best metal alloy fuel design, core optimization became a central effort. This work is ongoing.

  10. Influence of S. mutans on base-metal dental casting alloy toxicity.

    Science.gov (United States)

    McGinley, E L; Dowling, A H; Moran, G P; Fleming, G J P

    2013-01-01

    We have highlighted that exposure of base-metal dental casting alloys to the acidogenic bacterium Streptococcus mutans significantly increases cellular toxicity following exposure to immortalized human TR146 oral keratinocytes. With Inductively Coupled Plasma-Mass Spectrometry (ICP-MS), S. mutans-treated nickel-based (Ni-based) and cobalt-chromium-based (Co-Cr-based) dental casting alloys were shown to leach elevated levels of metal ions compared with untreated dental casting alloys. We targeted several biological parameters: cell morphology, viable cell counts, cell metabolic activity, cell toxicity, and inflammatory cytokine expression. S. mutans-treated dental casting alloys disrupted cell morphology, elicited significantly decreased viable cell counts (p casting alloys induced elevated levels of cellular toxicity compared with S. mutans-treated Co-Cr-based dental casting alloys. While our findings indicated that the exacerbated release of metal ions from S. mutans-treated base-metal dental casting alloys was the likely result of the pH reduction during S. mutans growth, the exact nature of mechanisms leading to accelerated dissolution of alloy-discs is not yet fully understood. Given the predominance of S. mutans oral carriage and the exacerbated cytotoxicity observed in TR146 cells following exposure to S. mutans-treated base-metal dental casting alloys, the implications for the long-term stability of base-metal dental restorations in the oral cavity are a cause for concern.

  11. Trends in catalytic NO decomposition over transition metal surfaces

    DEFF Research Database (Denmark)

    Falsig, Hanne; Bligaard, Thomas; Rass-Hansen, Jeppe

    2007-01-01

    The formation of NOx from combustion of fossil and renewable fuels continues to be a dominant environmental issue. We take one step towards rationalizing trends in catalytic activity of transition metal catalysts for NO decomposition by combining microkinetic modelling with density functional...... theory calculations. We show specifically why the key problem in using transition metal surfaces to catalyze direct NO decomposition is their significant relative overbinding of atomic oxygen compared to atomic nitrogen....

  12. Transition-Metal-Free Biomolecule-Based Flexible Asymmetric Supercapacitors.

    Science.gov (United States)

    Yang, Yun; Wang, Hua; Hao, Rui; Guo, Lin

    2016-09-01

    A transition-metal-free asymmetric supercapacitor (ASC) is successfully fabricated based on an earth-abundant biomass derived redox-active biomolecule, named lawsone. Such an ASC exhibits comparable or even higher energy densities than most of the recently reported transition-metal-based ASCs, and this green ASC generation from renewable resources is promising for addressing current issues of electronic hazard processing, high cost, and unsustainability. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Theoretical study of the localization-delocalization transition in amorphous molybdenum-germanium alloys

    International Nuclear Information System (INIS)

    Ding, K.; Andersen, H.C.

    1987-01-01

    Electronic structure calculations were performed for amorphous germanium and amorphous alloys of molybdenum and germanium. The calculations used Harrison's universal linear-combination-of-atomic-orbitals parameters to generate one-electron Hamiltonians for structural configurations obtained from molecular-dynamics simulations. The density of states calculated for a model of a-Ge showed a distinct pseudogap, although with an appreciable density of states at the minimum. The states in the pseudogap are localized. As the concentration of Mo atoms increases, the pseudogap of the density of states is gradually filled up. The density of states at the Fermi energy calculated for our model of the alloys agrees quite well with that experimentally determined by Yoshizumi, Geballe, and co-workers. The localization index for the states at the Fermi energy is a decreasing function of Mo concentration in the range of 2--14 at. % Mo and the localization length is an increasing function of molybdenum concentration. These results are consistent with the experimental observation of an insulator-metal transition at about 10 at. % Mo

  14. Impact of Interfacial Defects on the Properties of Monolayer Transition Metal Dichalcogenide Lateral Heterojunctions

    KAUST Repository

    Cao, Zhen

    2017-03-25

    We explored the impact of interfacial defects on the stability and optoelectronic properties of monolayer transition metal dichalcogenide lateral heterojunctions using a density functional theory approach. As a prototype, we focused on the MoS2-WSe2 system and found that even a random alloy-like interface with a width of less than 1 nm has only a minimal impact on the band gap and alignment compared to the defect-less interface. The largest impact is on the evolution of the electrostatic potential across the monolayer. Similar to defect-less interfaces, a small number of defects results in an electrostatic potential profile with a sharp change at the interface, which facilitates exciton dissociation. Differently, a large number of defects results in an electrostatic potential profile switching smoothly across the interface, which is expected to reduce the capability of the heterojunction to promote exciton dissociation. These results are generalizable to other transition metal dichalcogenide lateral heterojunctions.

  15. M551 metals melting experiment. [space manufacturing of aluminum alloys, tantalum alloys, stainless steels

    Science.gov (United States)

    Li, C. H.; Busch, G.; Creter, C.

    1976-01-01

    The Metals Melting Skylab Experiment consisted of selectively melting, in sequence, three rotating discs made of aluminum alloy, stainless steel, and tantalum alloy. For comparison, three other discs of the same three materials were similarly melted or welded on the ground. The power source of the melting was an electron beam unit. Results are presented which support the concept that the major difference between ground base and Skylab samples (i.e., large elongated grains in ground base samples versus nearly equiaxed and equal sized grains in Skylab samples) can be explained on the basis of constitutional supercooling, and not on the basis of surface phenomena. Microstructural observations on the weld samples and present explanations for some of these observations are examined. In particular, ripples and their implications to weld solidification were studied. Evidence of pronounced copper segregation in the Skylab A1 weld samples, and the tantalum samples studied, indicates a weld microhardness (and hence strength) that is uniformly higher than the ground base results, which is in agreement with previous predictions. Photographs are shown of the microstructure of the various alloys.

  16. Transition metal mediated transformations of small molecules

    Energy Technology Data Exchange (ETDEWEB)

    Sen, Ayusman [Pennsylvania State Univ., University Park, PA (United States)

    2017-03-08

    Catalysis at metal centers is of great scientific, as well as practical, importance because of the high efficiency, high specificity, and low energy demands often associated with such systems. The two major themes of our research are (a) the design of metal-based systems for the synthesis of novel classes of polymers and (b) the identification of new metal-catalyzed systems for the conversion of biomass to fuels and chemicals, and related “green” chemical processes.

  17. Radiation hardening and embrittlement of some refractory metals and alloys

    International Nuclear Information System (INIS)

    Fabritsiev, S.; Pokrovskyb

    2007-01-01

    Tungsten is proposed for application in the ITER divertor and limiter as plasma facing material. The tungsten operation temperature in the ITER divertor is relatively high. Hence, the ductile properties of tungsten will be controlled by the low temperature radiation embrittlement. The mechanism of radiation hardening and embrittlement under neutron irradiation at low temperature is well studied for FCC metals, in particular for copper. At the same time, low-temperature radiation hardening of BCC materials, in particular for refractory metals, is less studied. This study presents the results of investigation into radiation hardening and embrittlement of pure metals: W, Mo and Nb, and W-Re and Ta-4W alloys. The materials were in the annealed conditions. The specimens were irradiated in the SM-2 reactor to doses of 10 -4 -10 -1 dpa at 80 C and then tested for tension at 80 C. The study of the stress-strain curves of unirradiated specimens revealed a yield drop for W, Mo, Nb, Ta-4W, W-Re. After the yield drop some metals (Mo,Nb) retain their capability for strain hardening and demonstrate a high elongation (20-50%). Radiation hardening is maximum in Mo (∝400MPa) and minimum in Nb (∝100 MPa). In this case the dependence slope for Nb is similar to that for pure copper irradiated in SM-2 under the same conditions. Ii and Ta-4W have a higher slope. Measurement of electrical resistivity of irradiated specimens showed that for all materials it is increased monotonously with an increase in the irradiation dose. A minimum gain in electrical resistivity with a dose was observed for Nb (∝3% at 0.1 dpa). As for Mo it was essentially higher, i.e. ∝ 30%. The gain was maximum for W-Re alloy. Comparison of radiation hardening dose dependencies obtained in this study with the data for FCC metals (Cu) showed that in spite of the quantitative difference the qualitative behavior of these two classes of metals is similar. (orig.)

  18. Two-step superconducting transition in Cu-V-Si alloys

    International Nuclear Information System (INIS)

    Sharma, R.G.; Krishna, M.M.; Narlikar, A.V.

    1980-01-01

    Copper ternary alloys containing small amounts of vanadium and silicon exhibit a two-step superconducting resistive transition. The first transition occurs around 17 K, the transition temperature of β-W V 3 Si, followed by a plateau and a second transition around 10 K. The resistivity, however, does not drop to zero down to 2.5 K. Reduction of the wire diameter causes the two transitions to shift to lower temperatures. Complete superconductivity in these specimens is absent for two reasons. Firstly, the superconducting volume fraction present in these alloy-wires is below the threshold given by either the effective-medium theory or the site percolation theory. Secondly, the superconducting phase V 3 Si does not precipitate in copper matrix in a fine structure and the proximity effect does not operate strongly. Annealing causes the superconducting particles to coalesce and grow in size and suppresses the proximity effect and superconductivity further in these alloy wires. (author)

  19. High-pressure phase transition of alkali metal-transition metal deuteride Li2PdD2

    Science.gov (United States)

    Yao, Yansun; Stavrou, Elissaios; Goncharov, Alexander F.; Majumdar, Arnab; Wang, Hui; Prakapenka, Vitali B.; Epshteyn, Albert; Purdy, Andrew P.

    2017-06-01

    A combined theoretical and experimental study of lithium palladium deuteride (Li2PdD2) subjected to pressures up to 50 GPa reveals one structural phase transition near 10 GPa, detected by synchrotron powder x-ray diffraction, and metadynamics simulations. The ambient-pressure tetragonal phase of Li2PdD2 transforms into a monoclinic C2/m phase that is distinct from all known structures of alkali metal-transition metal hydrides/deuterides. The structure of the high-pressure phase was characterized using ab initio computational techniques and from refinement of the powder x-ray diffraction data. In the high-pressure phase, the PdD2 complexes lose molecular integrity and are fused to extended [PdD2]∞ chains. The discovered phase transition and new structure are relevant to the possible hydrogen storage application of Li2PdD2 and alkali metal-transition metal hydrides in general.

  20. Fluorescence signalling of the transition metal ions: Design strategy ...

    Indian Academy of Sciences (India)

    Unknown

    strategy based on the choice of the fluorophore component. N B SANKARAN, S ... skill for the development of fluorosensors of this kind. Further, the ... salts of the transition metal ions have been used for studying the influence of the metal ions.

  1. Catalytic olefin polymerization with early transition metal compounds

    NARCIS (Netherlands)

    Eshuis, Johan Jan Willem

    1991-01-01

    The catalysis of organic reactions by soluble metal complexes has become a major tool in synthesis, both in the laboratory and in the chemical industry. Processes catalyzed by transition metal complexes include carbonylation, olefin polymerization, olefin addition, olefin oxidation and alkane and

  2. Tris-diamine-derived transition metal complexes of flurbiprofen as ...

    African Journals Online (AJOL)

    admin

    butyrylcholinesterase (BChE) inhibitory activities. Method: Tris-diamine-derived transition metal complexes of Co(II), Ni(II), and Mn(II) were synthesized and characterized ... Conductance measurements indicated that diamine-derived metal complexes of ..... contributes to enhanced biological activity, and provides novel ...

  3. Nonmetal-metal transition in metal–molten-salt solutions

    NARCIS (Netherlands)

    Silvestrelli, P.-L.; Alavi, A.; Parrinello, M.; Frenkel, D.

    1996-01-01

    The method of ab initio molecular dynamics, based on finite-temperature density-functional theory, is used to study the nonmetal-metal transition in two different metal–molten-salt solutions, Kx(KCl)1-x and Nax(NaBr)1-x. As the excess metal concentration is increased the electronic density becomes

  4. Direct NO decomposition over stepped transition-metal surfaces

    DEFF Research Database (Denmark)

    Falsig, Hanne; Bligaard, Thomas; Christensen, Claus H.

    2007-01-01

    We establish the full potential energy diagram for the direct NO decomposition reaction over stepped transition-metal surfaces by combining a database of adsorption energies on stepped metal surfaces with known Bronsted-Evans-Polanyi (BEP) relations for the activation barriers of dissociation...

  5. [Non-empirical interatomic potentials for transition metals

    International Nuclear Information System (INIS)

    1993-01-01

    The report is divided into the following sections: potential-energy functions for d-band metals, potential-energy functions for aluminides and quasicrystals, electronic structure of complex structures and quasicrystals, potential-energy functions in transition-metal oxides, applications to defect structure and mechanical properties, and basic theory of interatomic potentials

  6. Effects of thermal aging on microstructures of low alloy steel–Ni base alloy dissimilar metal weld interfaces

    International Nuclear Information System (INIS)

    Choi, Kyoung Joon; Kim, Jong Jin; Lee, Bong Ho; Bahn, Chi Bum; Kim, Ji Hyun

    2013-01-01

    In this study, the advanced instrumental analysis has been performed to investigate the effect of long-term thermal aging on the microstructural evolution in the fusion boundary region between weld metal and low alloy steel in dissimilar metal welds. A representative dissimilar weld mock-up made of Alloy 690-Alloy 152-A533 Gr. B was fabricated and aged at 450 °C for 2750 h. The micro- and nano-scale characterization were conducted mainly near in a weld root region by using optical microscopy, scanning electron microscopy, transmission electron microscopy, and three dimensional atom probe tomography. It was observed that the weld root was generally divided into several regions including dilution zone in the Ni-base alloy weld metal, fusion boundary, and heat-affected zone in the low alloy steel. A steep gradient was shown in the chemical composition profile across the interface between A533 Gr. B and Alloy 152. The precipitation of carbides was also observed along and near the fusion boundary of as-welded and aged dissimilar metal joints. It was also found that the precipitation of Cr carbides was enhanced by the thermal aging near the fusion boundary

  7. Effects of thermal aging on microstructures of low alloy steel–Ni base alloy dissimilar metal weld interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Kyoung Joon; Kim, Jong Jin [Interdisciplinary School of Green Energy, Ulsan National Institute of Science and Technology (UNIST), 100 Banyeon-ri, Eonyang-eup, Ulju-gun, Ulsan 689-798 (Korea, Republic of); Lee, Bong Ho [National Center for Nanomaterials Technology (NCNT), Pohang University of Science and Technology (POSTECH), 77 Cheongam-ro, Nam-gu, Pohang, Gyeongbuk 790-784 (Korea, Republic of); Bahn, Chi Bum [Argonne National Laboratory, 9700 S. Cass Ave, Lemont, IL 60439 (United States); Kim, Ji Hyun, E-mail: kimjh@unist.ac.kr [Interdisciplinary School of Green Energy, Ulsan National Institute of Science and Technology (UNIST), 100 Banyeon-ri, Eonyang-eup, Ulju-gun, Ulsan 689-798 (Korea, Republic of)

    2013-10-15

    In this study, the advanced instrumental analysis has been performed to investigate the effect of long-term thermal aging on the microstructural evolution in the fusion boundary region between weld metal and low alloy steel in dissimilar metal welds. A representative dissimilar weld mock-up made of Alloy 690-Alloy 152-A533 Gr. B was fabricated and aged at 450 °C for 2750 h. The micro- and nano-scale characterization were conducted mainly near in a weld root region by using optical microscopy, scanning electron microscopy, transmission electron microscopy, and three dimensional atom probe tomography. It was observed that the weld root was generally divided into several regions including dilution zone in the Ni-base alloy weld metal, fusion boundary, and heat-affected zone in the low alloy steel. A steep gradient was shown in the chemical composition profile across the interface between A533 Gr. B and Alloy 152. The precipitation of carbides was also observed along and near the fusion boundary of as-welded and aged dissimilar metal joints. It was also found that the precipitation of Cr carbides was enhanced by the thermal aging near the fusion boundary.

  8. Pd surface functionalization of 3D electroformed Ni and Ni-Mo alloy metallic nanofoams for hydrogen production

    Science.gov (United States)

    Petica, A.; Brincoveanu, O.; Golgovici, F.; Manea, A. C.; Enachescu, M.; Anicai, L.

    2018-03-01

    The paper presents some experimental results regarding the functionalization of 3D electroformed Ni and Ni-Mo alloy nanofoams with Pd nanoclusters, as potential cathodic materials suitable for HER during seawater electrolysis. The electrodeposition from aqueous electrolytes containing NiCl2 and NH4Cl has been applied to prepare the 3D Ni nanofoams. Ni-Mo alloys have been electrodeposited involving aqueous ammonium citrate type electrolytes. Pd surface functionalization has been performed using both electroless and electrochemical procedures. Pd content varied in the range of 0.5 – 8 wt.%, depending on the applied procedure and the operation conditions. The use of a porous structure associated with alloying element (i.e. Mo) and Pd surface functionalization facilitated enhanced performances from HER view point in seawater electrolyte (lower Tafel slopes). The determined Tafel slope values ranged from 123 to 105 mV.dec-1, suggesting the Volmer step as rate determining step. The improvement of the HER catalytic activity may be ascribed to a synergistic effect between the high real active area of the 3D electroformed metallic substrate, Ni alloying with a left transition metal and surface modification using Pd noble metal.

  9. Wetting and spreading behavior of molten brazing filler metallic alloys on metallic substrate

    Science.gov (United States)

    Kogi, Satoshi; Kajiura, Tetsurou; Hanada, Yukiakira; Miyazawa, Yasuyuki

    2014-08-01

    Wetting and spreading of molten brazing filler material are important factors that influence the brazing ability of a joint to be brazed. Several investigations into the wetting ability of a brazing filler alloy and its surface tension in molten state, in addition to effects of brazing time and temperature on the contact angle, have been carried out. In general, dissimilar-metals brazing technology and high-performance brazed joint are necessities for the manufacturing field in the near future. Therefore, to address this requirement, more such studies on wetting and spreading of filler material are required for a deeper understanding. Generally, surface roughness and surface conditions affect spreading of molten brazing filler material during brazing. Wetting by and interfacial reactions of the molten brazing filler material with the metallic substrate, especially, affect strongly the spreading of the filler material. In this study, the effects of surface roughness and surface conditions on the spreading of molten brazing filler metallic alloys were investigated. Ag-(40-x)Cu-xIn and Ag- (40-x)Cu-xSn (x=5, 10, 15, 20, 25) alloys were used as brazing filler materials. A mild-steel square plate (S45C (JIS); side: 30 mm; thickness: 3mm) was employed as the substrate. A few surfaces with varying roughness were prepared using emery paper. Brazing filler material and metallic base plate were first washed with acetone, and then a flux was applied to them. The filler, 50 mg, was placed on the center of the metallic base with the flux. A spreading test was performed under Ar gas using an electrically heated furnace, after which, the original spreading area, defined as the sessile drop area, and the apparent spreading area, produced by the capillary grooves, were both evaluated. It was observed that the spreading area decreased with increasing In and Sn content.

  10. Effect of stress on the superconducting transition temperature in indium, indium-alloy, tin, and tin-alloy whisker samples

    International Nuclear Information System (INIS)

    Cook, J.W. Jr.; Davis, W.T.; Chandler, J.H.; Skove, M.J.

    1977-01-01

    The dependence of the superconducting transition temperature (T/sub c/) on stress (sigma) for pure In and Sn samples was found to be in qualitative agreement with earlier work. For convenience T/sub c/ is expressed as a function of the experimentally measured strain (epsilon), which is proportional to sigma. The effect of alloying on the initial dependence of the T/sub c/-vs-epsilon curves, (per. delta T/sub c//per. delta epsilon)/sub epsilon = 0/ = eta, was quite different for the In and Sn alloys. The In samples were alloyed with a maximum of 4.8 at.% Tl, 7.9 at.% Sn, and 6.7 at.% Pd; the Sn samples were alloyed with a maximum of 0.3 at.% Cd, 6.0 at.% In, 0.3 at.% Sb, and 2.2 at.% Bi. The addition of impurities had a large effect on eta for the In alloys, with eta reversing sign for some Sn and Pb alloy contents (chi). The T/sub c/-vs-epsilon curves also became nonlinear for some chi. The possible relationship of the In alloy results to changes in the Fermi surface due to the addition of impurities is discussed. For the Sn alloy samples, there was no change in eta with any impurity. The change in room-temperature resistivity with strain was also measured. There was only a slight decrease in the dependence of resistivity on strain for the In--Sn and In--Pb data and no effect on the In--Tl or Sn alloy data

  11. Applications for Gradient Metal Alloys Fabricated Using Additive Manufacturing

    Science.gov (United States)

    Hofmann, Douglas C.; Borgonia, John Paul C.; Dillon, Robert P.; Suh, Eric J.; Mulder, jerry L.; Gardner, Paul B.

    2013-01-01

    assortment of "post-processing" methods to locally alter properties (such as coating, heat treating, work hardening, shot peening, etching, anodizing, among others). Building the final part in an additive process allows for the development of an entirely new class of metals, so-called "functionally graded metals" or "gradient alloys." By carefully blending feedstock materials with different properties in an AM process, hardware can be developed with properties that cannot be obtained using other techniques but with the added benefit of the net-shaped fabrication that AM allows.

  12. Modulation of transport properties of RuO2 with 3d transition metals

    International Nuclear Information System (INIS)

    Music, Denis; Chen, Yen-Ting; Geyer, Richard W; Bliem, Pascal; Schneider, Jochen M

    2014-01-01

    Using density functional theory, we have demonstrated that alloying of RuO 2 (P4 2 /mnm) with 3d transition metals (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) gives rise to a substantial increase in the Seebeck coefficient probably due to quantum confinement. As Fe yields the largest enhancement, it was selected for experimental verification. We synthesized combinatorial Ru–Fe–O thin films and subsequently measured their transport properties at elevated temperatures. The Fe-alloyed samples increase the Seebeck coefficient threefold with respect to the unalloyed RuO 2 specimen thereby verifying the theoretical prediction. The here obtained power factor of 274 μW K −2 m −1 is not only the largest reported value for RuO 2 based compounds but it also occurs at ∼600 °C thus increasing the Carnot efficiency significantly. (paper)

  13. Preparation of rare earth and other metal alloys containing aluminum and silicon

    International Nuclear Information System (INIS)

    Mitchell, A.; Goldsmith, J.R.; Gray, M.

    1981-01-01

    A method is provided for making alloys of aluminum and silicon with a third metal which may be a rare earth or a member of groups 4b, 5b, or 6b of the periodic table. The flux system CaF 2 -CaO-Al 2 O 3 is used as a solvent to provide a reactive medium for the alloy-forming reactions. Aluminum is supplied as a reducing agent, and silicon is added as a sink for the alloying metal. The resulting alloy may be used in steels. (L.L.)

  14. Improved alloys for a liquid metal fast breeder reactor

    International Nuclear Information System (INIS)

    1981-01-01

    An alloy is specified suitable for use at elevated temperatures and especially in a liquid metal fast breeder reactor consisting essentially of a nickel-chromium steel having a specified range of composition of C, Mn, Si, Zr, V, Ni, Cr, Ti, Al, Mo, B, and the balance iron with incidental impurities, the alloy exhibiting a swelling at peak swelling temperature of less than 10% wherein the matrix composition has after heat treatment at a temperature within the range of 1000 0 C to 1100 0 C for about one half hour followed by aging at a temperature within the range of from 700 0 C to 815 0 C for a time period of between 10 to 24 hours, the longer hours being associated with the lower temperatures and vice-versa, and after the removal of the non-equilibrium gamma prime and other precipitated phases a composition within a specified range of composition of Ni, Cr, Ti, Al, Mo, the balance being essentially iron. (U.K.)

  15. Reactivity of monoolefin ligand in transition metal complexes

    International Nuclear Information System (INIS)

    Rybinskaya, M.I.

    1978-01-01

    The main tendencies in the coordinated olefin ligand property changes are discussed in the transition metal complexes in comparison with free olefins. The review includes the papers published from 1951 up to 1976. It has been shown that in complexes with transition metal cations olefin π-base acquires the ability to react with nucleophylic reagents. Olefin π-acids in complexes with zero valent metals are easily subjected to electrophylic reagent action. At coordination with transition metal cations the olefin properties are generally preserved, while in the zero-valent metal complexes the nonsaturated ligand acquires the properties of a saturated compounds. The ability of transition metal cations in complexes to intensify reactions of nucleophylic bimolecular substitution of vinyl halogen is clearly detected in contrast to the zero valent metal complexes. It has been shown that investigations of the coordinated olefin ligand reactivity give large possibilities in the further development of the organic synthesis. Some reactions are taken as the basis of important industrial processes

  16. Theory of the transition temperature of superconducting amorphous transition metals

    International Nuclear Information System (INIS)

    Zwicknagel, G.

    1979-11-01

    In the present paper first the transition temperature Tsub(c) is shown to be a local quantity, which depends on the (average) short range order, and second it is demonstrated how to calculate local electronic properties in the framework of a short range order model and the transition temperature of amorphous systems based on accepted structure models of the amorphous state. In chapter I the theoretical basis of this work is presented in brief. The model used to study the role of short range order (in periodically ordered as well as in disordered system) is described in chapter II. The results of this model for the periodically ordered case are compared in chapter III with band structure calculations. In chapter IV it is shown how to establish short range order models for disordered systems and what kind of information can be obtained with respect to the electronic properties. Finally in chapter V it is discussed to what extend the interpretation of the transition temperature Tsub(c) as being determined by short range order effects can be supported by the electronic properties, which are calculated in the chapters III and IV. (orig.) [de

  17. Refractory metal alloys and composites for space power systems

    International Nuclear Information System (INIS)

    Stephens, J.R.; Petrasek, D.W.; Titran, R.H.

    1994-01-01

    Space power requirements for future NASA and other United States missions will range from a few kilowatts to megawatts of electricity. Maximum efficiency is a key goal of any power system in order to minimize weight and size so that the space shuttle may be used a minimum number of times to put the power supply into orbit. Nuclear power has been identified as the primary power source to meet these high levels of electrical demand. One method to achieve maximum efficiency is to operate the power supply, energy conversion system, and related components at relatively high temperatures. NASA Lewis Research Center has undertaken a research program on advanced technology of refractory metal alloys and composites that will provide base line information for space power systems in the 1900's and the 21st century. Basic research on the tensile and creep properties of fibers, matrices, and composites will be discussed

  18. Crystallization of some amorphous metallic alloys studied by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Sitek, J.; Miglierini, M.; Lipka, J.; Valko, P.; Toth, I.

    1990-01-01

    The present work provides an analysis of crystallization processes in amorphous metallic alloys Fe 80 Si 4 Cr 1.8 B 14 and Fe 67 Co 18 B 14 Si 1 . Crystallization of the first sample started at the temperature of 648 K. The fully crystalline state was observed after annealing at 748 K. We identified four sextets. One corresponds to crystalline Fe 2 B and the three others to FeSi solid solution with 10 at.% of Si. Crystallization of Fe 67 Co 18 B 14 Si 1 started at the temperature of 623 K. We identified two crystalline phases. The first may have its origin as (Fe 1-x Co x ) 3 B, the second one may correspond to a Fe-Co solid solution with a different Co content. (orig.)

  19. Leakage current characteristics of the multiple metal alloy nanodot memory

    International Nuclear Information System (INIS)

    Lee, Gae Hun; Lee, Jung Min; Yang, Hyung Jun; Song, Yun Heub; Bea, Ji Chel; Tanaka, Tetsu

    2010-01-01

    The leakage current characteristics of a multiple metal alloy nanodot device for a nonvolatile random access memory using FePt materials are investigated. Several annealing conditions are evaluated and optimized to suppress the leakage current and to better the memory characterisctics. This work confirmed that the annealing condition of 700 .deg. C in a high vacuum ambience (under 1 x 10 -5 Pa) simultaneously provided good cell characteristics from a high dot density of over 1 x 10 13 /cm 2 and a low leakage current. In addition, a smaller nanodot diameter was found to give a lower leakage current for the multiple nanodot memory. Finally, for the proposed annealing condition, the quadruple FePt multiple nanodot memory with a 2-nm dot diameter provided good leakage current characteristics, showing a threshold voltage shift of under 5% at an initial retention stage of 1000 sec.

  20. Dissolution of metallic uranium and its alloys. Part 1. Review of analytical and process-scale metallic uranium dissolution

    International Nuclear Information System (INIS)

    Laue, C.A.; Gates-Anderson, D.; Fitch, T.E.

    2004-01-01

    This review focuses on dissolution/reaction systems capable of treating uranium metal waste to remove its pyrophoric properties. The primary emphasis is the review of literature describing analytical and production-scale dissolution methods applied to either uranium metal or uranium alloys. A brief summary of uranium's corrosion behavior is included since the corrosion resistance of metals and alloys affects their dissolution behavior. Based on this review, dissolution systems were recommended for subsequent screening studies designed to identify the best system to treat depleted uranium metal wastes at Lawrence Livermore National Laboratory (LLNL). (author)

  1. Half-Metallic Ferromagnetism and Stability of Transition Metal Pnictides and Chalcogenides

    Science.gov (United States)

    Liu, Bang-Gui

    It is highly desirable to explore robust half-metallic ferromagnetic materials compatible with important semiconductors for spintronic applications. A state-of-the-art full potential augmented plane wave method within the densityfunctional theory is reliable enough for this purpose. In this chapter we review theoretical research on half-metallic ferromagnetism and structural stability of transition metal pnictides and chalcogenides. We show that some zincblende transition metal pnictides are half-metallic and the half-metallic gap can be fairly wide, which is consistent with experiment. Systematic calculations reveal that zincblende phases of CrTe, CrSe, and VTe are excellent half-metallic ferromagnets. These three materials have wide half-metallic gaps, are low in total energy with respect to the corresponding ground-state phases, and, importantly, are structurally stable. Halfmetallic ferromagnetism is also found in wurtzite transition metal pnictides and chalcogenides and in transition-metal doped semiconductors as well as deformed structures. Some of these half-metallic materials could be grown epitaxially in the form of ultrathin .lms or layers suitable for real spintronic applications.

  2. Impact of medium-range order on the glass transition in liquid Ni-Si alloys

    Science.gov (United States)

    Lü, Y. J.; Entel, P.

    2011-09-01

    We study the thermophysical properties and structure of liquid Ni-Si alloys using molecular dynamics simulations. The liquid Ni-5% and 10%Si alloys crystallize to form the face-centered cubic (Ni) at 900 and 850 K, respectively, and the glass transitions take place in Ni-20% and 25%Si alloys at about 700 K. The temperature-dependent self-diffusion coefficients and viscosities exhibit more pronounced non-Arrhenius behavior with the increase of Si content before phase transitions, indicating the enhanced glass-forming ability. These appearances of thermodynamic properties and phase transitions are found to closely relate to the medium-range order clusters with the defective face-centered cubic structure characterized by both local translational and orientational order. This locally ordered structure tends to be destroyed by the addition of more Si atoms, resulting in a delay of nucleation and even glass transition instead.

  3. Thermal Aging Effects on Heat Affected Zone of Alloy 600 in Dissimilar Metal Weld

    Energy Technology Data Exchange (ETDEWEB)

    Ham, Jun Hyuk; Choi, Kyoung Joon; Yoo, Seung Chang; Kim, Ji Hyun [UNIST, Ulsan (Korea, Republic of)

    2016-05-15

    Dissimilar metal weld (DMW), consists of Alloy 600, Alloy 182, and A508 Gr.3, is now being widely used as the reactor pressure vessel penetration nozzle and the steam generator tubing material for pressurized water reactors (PWR) because of its mechanical property, thermal expansion coefficient, and corrosion resistance. The heat affected zone (HAZ) on Alloy 600 which is formed by welding process is critical to crack. According to G.A. Young et al. crack growth rates (CGR) in the Alloy 600 HAZ were about 30 times faster than those in the Alloy 600 base metal tested under the same conditions [3]. And according to Z.P. Lu et al. CGR in the Alloy 600 HAZ can be more than 20 times higher than that in its base metal. To predict the life time of components, there is a model which can calculate the effective degradation years (EDYs) of the material as a function of operating temperature. This study was conducted to investigate how thermal aging affects the hardness of dissimilar metal weld from the fusion boundary to Alloy 600 base metal and the residual strain at Alloy 600 heat affected zone. Following conclusions can be drawn from this study. The hardness, measured by Vickers hardness tester, peaked near the fusion boundary between Alloy 182 and Alloy 600, and it decreases as the picked point goes to Alloy 600 base metal. Even though the formation of precipitate such as Cr carbide, thermal aging doesn't affect the value and the tendency of hardness because of reduced residual stress. According to kernel average misorientation mapping, residual strain decreases when the material thermally aged. And finally, in 30 years simulated specimen, the high residual strain almost disappears. Therefore, the influence of residual strain on primary water stress corrosion cracking can be diminished when the material undergoes thermal aging.

  4. Synthesis of alumina-metal nanocomposites by mechanical alloying

    International Nuclear Information System (INIS)

    Osso, D.; Caer, G. le; Begin-Colin, S.; Mocellin, A.; Matteazzi, P.

    1993-01-01

    The synthesis of nanometer-sized α-Al 2 O 3 -metal composites can be performed by room temperature ball-milling of mixtures of metal-oxides and aluminium as shown by Matteazzi and Le Caer. The average crystallite size of the alumina-metal composite so obtained is in general about 10nm. Such composites may also be prepared by direct grinding of a mixture of α-Al 2 O 3 and of a metal or an alloy. The present work is devoted to the study of the reaction mechanisms by X-Ray diffraction and 57 Fe Moessbauer spectroscopy for the α-Al 2 O 3 -Cr, α-Al 2 O 3 -Fe, α-Al 2 O 3 -(Fe-Cr) and α-Al 2 O 3 -Ti systems. Moessbauer spectroscopy shows that non-completely reduced Fe, partly in the form of Fe 2+ , still exists at the end of the synthesis and belongs to a ternary Al-Fe-O oxide in α-Al 2 O 3 -Fe composites although it cannot be indexed by X-Ray diffraction. The Fe 2+ component is mainly associated with iron environments in or similar to those of hercynite. Species like Fe 3+ in Al 2 O 3 or in grain boundaries are observed, Fe 4+ and Fe 0 cannot be excluded. Differences are obtained by reactive milling and by direct milling the reaction products. Reactive milling of Al-TiO 2 (anatase) yields α-Al 2 O 3 -Ti nanocomposites. The transient formation of a high-pressure orthorhombic form of TiO 2 of the α-PbO 2 type is observed. (orig.)

  5. Cell complexes of transition metals in biochemistry and medicine

    International Nuclear Information System (INIS)

    Voloshin, Ya.Z.; Varzatskij, O.A.; Bubnov, Yu.N.

    2007-01-01

    Basic directions and prospects of use of cell complexes of transition metals in medicine and biochemistry are considered: incapsulation of radioactive metal ions for radiotherapy and diagnostics; preparation of contrast compounds for magnetic resonance tomography, antidotes and pharmaceutical preparation of prolonged effect, preparations for boron-neutron-capture therapy of neoplasms, antioxidants; membrane transport of metal ions; study of interaction of cell metal complexes with nucleic acids; possibility of use of self-assembly of cell complexes for imitation of ligases and use of clathrochelates as linkers; design of inhibitors of viruses for AIDS therapy [ru

  6. Compton profiles of some 4d transition-metals

    International Nuclear Information System (INIS)

    Sharma, B.K.; Tomak, M.

    1982-08-01

    We have computed Compton profiles for 4d transition-metals using the Renormalized Free Atom (RFA) model for two different electron configurations, namely 4dsup(n-1)5s 1 and 4dsup(n-2)5s 2 . The results for niobium and molybdenum are presented and compared with those obtained for these metals within free atom model. For low values of momenta the RFA profiles are broader than the latter ones. The constancy of J(0) values reported for 3d-metals is shown to be present also in case of 4d-metals. (author)

  7. A Simple, General Synthetic Route toward Nanoscale Transition Metal Borides.

    Science.gov (United States)

    Jothi, Palani R; Yubuta, Kunio; Fokwa, Boniface P T

    2018-04-01

    Most nanomaterials, such as transition metal carbides, phosphides, nitrides, chalcogenides, etc., have been extensively studied for their various properties in recent years. The similarly attractive transition metal borides, on the contrary, have seen little interest from the materials science community, mainly because nanomaterials are notoriously difficult to synthesize. Herein, a simple, general synthetic method toward crystalline transition metal boride nanomaterials is proposed. This new method takes advantage of the redox chemistry of Sn/SnCl 2 , the volatility and recrystallization of SnCl 2 at the synthesis conditions, as well as the immiscibility of tin with boron, to produce crystalline phases of 3d, 4d, and 5d transition metal nanoborides with different morphologies (nanorods, nanosheets, nanoprisms, nanoplates, nanoparticles, etc.). Importantly, this method allows flexibility in the choice of the transition metal, as well as the ability to target several compositions within the same binary phase diagram (e.g., Mo 2 B, α-MoB, MoB 2 , Mo 2 B 4 ). The simplicity and wide applicability of the method should enable the fulfillment of the great potential of this understudied class of materials, which show a variety of excellent chemical, electrochemical, and physical properties at the microscale. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Harnessing the metal-insulator transition for tunable metamaterials

    Science.gov (United States)

    Charipar, Nicholas A.; Charipar, Kristin M.; Kim, Heungsoo; Bingham, Nicholas S.; Suess, Ryan J.; Mathews, Scott A.; Auyeung, Raymond C. Y.; Piqué, Alberto

    2017-08-01

    The control of light-matter interaction through the use of subwavelength structures known as metamaterials has facilitated the ability to control electromagnetic radiation in ways not previously achievable. A plethora of passive metamaterials as well as examples of active or tunable metamaterials have been realized in recent years. However, the development of tunable metamaterials is still met with challenges due to lack of materials choices. To this end, materials that exhibit a metal-insulator transition are being explored as the active element for future metamaterials because of their characteristic abrupt change in electrical conductivity across their phase transition. The fast switching times (▵t < 100 fs) and a change in resistivity of four orders or more make vanadium dioxide (VO2) an ideal candidate for active metamaterials. It is known that the properties associated with thin film metal-insulator transition materials are strongly dependent on the growth conditions. For this work, we have studied how growth conditions (such as gas partial pressure) influence the metalinsulator transition in VO2 thin films made by pulsed laser deposition. In addition, strain engineering during the growth process has been investigated as a method to tune the metal-insulator transition temperature. Examples of both the optical and electrical transient dynamics facilitating the metal-insulator transition will be presented together with specific examples of thin film metamaterial devices.

  9. Liquid -to-glass transition in bulk glass-forming Cu55-xZr45Agx alloys using molecular dynamic simulations

    Directory of Open Access Journals (Sweden)

    Celtek M.

    2011-05-01

    Full Text Available We report results from molecular dynamics (MD studies concerning the microscopic structure of the ternary, bulk metallic glass-forming Cu55-x Zr45Agx (x=0,10,20 alloys using tight-binding potentials. Understanding of the nature of Glass Forming Ability (GFA of studied alloys, GFA parameters, glass transition temperature (T-g, melting temperature (T-m, reduced glass transition temperature (T-g/T-m, the supercooled liquid region and other parameters were simulated and compared with experiments. The computed pair distribution functions reproduce well experimental x-ray data of Inoue and co-workers. Structure analysis of the Cu-Zr-Ag alloy based on MD simulation will be also presented

  10. Alloying as a Route to Monolayer Transition Metal Dichalcogenides with Improved Optoelectronic Performance: Mo(S1–xSex)2 and Mo1–yWyS2

    KAUST Repository

    Shi, Zhiming; Zhang, Qingyun; Schwingenschlö gl, Udo

    2018-01-01

    –xSex)2 and Mo1–yWyS2 with x = 1/3, 2/3 and y = 1/3, 1/2, 2/3 are stable according to phonon calculations and realize 1T′ or 1T″ phases. The transition barriers from the 2H phase are lower than for monolayer MoS2, implying that the 1T′ or 1T″ phases

  11. Microstructural and hardness investigations on a dissimilar metal weld between low alloy steel and Alloy 82 weld metal

    International Nuclear Information System (INIS)

    Chen, Z.R.; Lu, Y.H.; Ding, X.F.; Shoji, T.

    2016-01-01

    The investigation on microstructure and hardness at the fusion boundary (FB) region of a dissimilar metal weld (DMW) between low alloy steel (LAS) A508-III and Alloy 82 weld metal (WM) was carried out. The results indicated that there were two kinds of FBs, martensite FB and sharp FB, with obvious different microstructures, alternately distributed in the same FB. The martensite FB region had a gradual change of elemental concentration across FB, columnar WM grains with high length/width ratios, a thick martensite layer and a wide heat affected zone (HAZ) with large prior austenite grains. By comparison, the sharp FB region had a relatively sharp change of elemental concentration across the FB, WM grains with low length/width ratios and a narrow HAZ with smaller prior austenite grains. The martensite possessed a K-S orientation relationship with WM grains, while no orientation relationship was found between the HAZ grains and WM grains at the sharp FB. Compared with sharp FB there were much more Σ3 boundaries in the HAZ beside martensite FB. The hardness maximum of the martensite FB was much higher than that of the sharp FB, which was attributed to the martensite layer at the martensite FB. - Highlights: •Martensite and sharp FBs with different microstructures were found in the same FB. •There were high length/width-ratio WM grains and a wide HAZ beside martensite FB. •There were low length/width-ratio WM grains and a narrow HAZ beside sharp FB. •Compared with sharp FB, there were much more Σ3 boundaries in HAZ of martensite FB. •Hardness maximium of martensite FB was much higher than that of sharp FB.

  12. Stable isotopes of transition and post-transition metals as tracers in environmental studies

    Science.gov (United States)

    Bullen, Tomas D.; Baskaran, Mark

    2011-01-01

    The transition and post-transition metals, which include the elements in Groups 3–12 of the Periodic Table, have a broad range of geological and biological roles as well as industrial applications and thus are widespread in the environment. Interdisciplinary research over the past decade has resulted in a broad understanding of the isotope systematics of this important group of elements and revealed largely unexpected variability in isotope composition for natural materials. Significant kinetic and equilibrium isotope fractionation has been observed for redox sensitive metals such as iron, chromium, copper, molybdenum and mercury, and for metals that are not redox sensitive in nature such as cadmium and zinc. In the environmental sciences, the isotopes are increasingly being used to understand important issues such as tracing of metal contaminant sources and fates, unraveling metal redox cycles, deciphering metal nutrient pathways and cycles, and developing isotope biosignatures that can indicate the role of biological activity in ancient and modern planetary systems.

  13. Quantum Critical “Opalescence” around Metal-Insulator Transitions

    Science.gov (United States)

    Misawa, Takahiro; Yamaji, Youhei; Imada, Masatoshi

    2006-08-01

    Divergent carrier-density fluctuations equivalent to the critical opalescence of gas-liquid transition emerge around a metal-insulator critical point at a finite temperature. In contrast to the gas-liquid transitions, however, the critical temperatures can be lowered to zero, which offers a challenging quantum phase transition. We present a microscopic description of such quantum critical phenomena in two dimensions. The conventional scheme of phase transitions by Ginzburg, Landau, and Wilson is violated because of its topological nature. It offers a clear insight into the criticalities of metal-insulator transitions (MIT) associated with Mott or charge-order transitions. Fermi degeneracy involving the diverging density fluctuations generates emergent phenomena near the endpoint of the first-order MIT and must shed new light on remarkable phenomena found in correlated metals such as unconventional cuprate superconductors. It indeed accounts for the otherwise puzzling criticality of the Mott transition recently discovered in an organic conductor. We propose to accurately measure enhanced dielectric fluctuations at small wave numbers.

  14. Friction and solid-solid adhesion on complex metallic alloys

    Science.gov (United States)

    Dubois, Jean-Marie; Belin-Ferré, Esther

    2014-01-01

    The discovery in 1987 of stable quasicrystals in the Al–Cu–Fe system was soon exploited to patent specific coatings that showed reduced friction in ambient air against hard antagonists. Henceforth, it was possible to develop a number of applications, potential or commercially exploited to date, that will be alluded to in this topical review. A deeper understanding of the characteristics of complex metallic alloys (CMAs) may explain why material made of metals like Al, Cu and Fe offers reduced friction; low solid–solid adhesion came later. It is linked to the surface energy being significantly lower on those materials, in which translational symmetry has become a weak property, that is determined by the depth of the pseudo-gap at the Fermi energy. As a result, friction is anisotropic in CMAs that builds up according to the translation symmetry along one direction, but is aperiodic along the other two directions. A review is given in this article of the most salient data found along these lines during the past two decades or so. PMID:27877675

  15. Cyclic deformation behavior of steels and light-metal alloys

    International Nuclear Information System (INIS)

    Walther, Frank; Eifler, Dietmar

    2007-01-01

    The detailed knowledge of the cyclic deformation behavior of metallic materials is an essential condition for the comprehensive understanding of fatigue mechanisms and a reliable lifetime calculation of cyclically loaded specimens and components. Various steels and light-metal alloys were investigated under stress and strain control on servohydraulic testing systems. In addition to mechanical stress-strain hysteresis measurements, the changes of the specimen temperature and the electrical resistance due to plastic deformation processes were measured. The plasticity-induced martensite formation in metastable austenitic steels was detected in situ with a ferritescope sensor. As advanced magnetic measuring technique giant-magneto-resistance sensors in combination with an universal eddy-current equipment were used for the on-line monitoring of fatigue processes. Due to their direct dependence on microstructural changes, all physical values show a clear interaction with the actual fatigue state. The results of the plastic strain, thermometric, electric and magnetic measuring techniques were presented versus the number of cycles as well as in Morrow and Coffin-Manson plots. The microstructures were characterized by scanning electron microscopy

  16. Cyclic deformation behavior of steels and light-metal alloys

    Energy Technology Data Exchange (ETDEWEB)

    Walther, Frank [University of Kaiserslautern, Institute of Materials Science and Engineering, P.O. Box 3049, D-67653 Kaiserslautern (Germany)], E-mail: walther@mv.uni-kl.de; Eifler, Dietmar [University of Kaiserslautern, Institute of Materials Science and Engineering, P.O. Box 3049, D-67653 Kaiserslautern (Germany)

    2007-11-15

    The detailed knowledge of the cyclic deformation behavior of metallic materials is an essential condition for the comprehensive understanding of fatigue mechanisms and a reliable lifetime calculation of cyclically loaded specimens and components. Various steels and light-metal alloys were investigated under stress and strain control on servohydraulic testing systems. In addition to mechanical stress-strain hysteresis measurements, the changes of the specimen temperature and the electrical resistance due to plastic deformation processes were measured. The plasticity-induced martensite formation in metastable austenitic steels was detected in situ with a ferritescope sensor. As advanced magnetic measuring technique giant-magneto-resistance sensors in combination with an universal eddy-current equipment were used for the on-line monitoring of fatigue processes. Due to their direct dependence on microstructural changes, all physical values show a clear interaction with the actual fatigue state. The results of the plastic strain, thermometric, electric and magnetic measuring techniques were presented versus the number of cycles as well as in Morrow and Coffin-Manson plots. The microstructures were characterized by scanning electron microscopy.

  17. Physical chemistry of the chlorination reactions of metals and alloys

    International Nuclear Information System (INIS)

    De Micco, Georgina

    2007-01-01

    This thesis has contributed towards the knowledge of complex systems.The chlorination reactions are non-catalytic solid-gas heterogeneous reactions which, in addition to the difficulties associated with the reactions occurring in an interface, have the particular features of chlorides compounds and their interactions.The questions arising from this type of study can not be solved by the application of an individual analysis technique.From the experimental point of view it is complicated, and many instrumental techniques need to be applied in order to obtain significant results as well as meaningful interpretations.The system under study is the chlorination of ternary and binary alloys containing Al, Cu and Zn and the pure metals, as these elements belong to the spent nuclear fuel cladding.The aim of the research has been to develop a process that eliminates most of the aluminium, which is the more abundant specie. In this way, the amount of material to be conditioned (vitrified) is reduced.The objectives proposed for each system have been achieved, and the results obtained can also be applied to similar systems for metal recycling [es

  18. Weyl Semimetal to Metal Phase Transitions Driven by Quasiperiodic Potentials

    Science.gov (United States)

    Pixley, J. H.; Wilson, Justin H.; Huse, David A.; Gopalakrishnan, Sarang

    2018-05-01

    We explore the stability of three-dimensional Weyl and Dirac semimetals subject to quasiperiodic potentials. We present numerical evidence that the semimetal is stable for weak quasiperiodic potentials, despite being unstable for weak random potentials. As the quasiperiodic potential strength increases, the semimetal transitions to a metal, then to an "inverted" semimetal, and then finally to a metal again. The semimetal and metal are distinguished by the density of states at the Weyl point, as well as by level statistics, transport, and the momentum-space structure of eigenstates near the Weyl point. The critical properties of the transitions in quasiperiodic systems differ from those in random systems: we do not find a clear critical scaling regime in energy; instead, at the quasiperiodic transitions, the density of states appears to jump abruptly (and discontinuously to within our resolution).

  19. Unusual metal-insulator transition in disordered ferromagnetic films

    International Nuclear Information System (INIS)

    Muttalib, K.A.; Wölfle, P.; Misra, R.; Hebard, A.F.

    2012-01-01

    We present a theoretical interpretation of recent data on the conductance near and farther away from the metal-insulator transition in thin ferromagnetic Gd films of thickness b≈2-10 nm. For increasing sheet resistances a dimensional crossover takes place from d=2 to d=3 dimensions, since the large phase relaxation rate caused by scattering of quasiparticles off spin wave excitations renders the dephasing length L φ ≲b at strong disorder. The conductivity data in the various regimes obey fractional power-law or logarithmic temperature dependence. One observes weak localization and interaction induced corrections at weaker disorder. At strong disorder, near the metal-insulator transition, the data show scaling and collapse onto two scaling curves for the metallic and insulating regimes. We interpret this unusual behavior as proof of two distinctly different correlation length exponents on both sides of the transition.

  20. Thermodynamic analysis of transition pressure of δ-stabilized binary plutonium alloys

    International Nuclear Information System (INIS)

    Wang Qinghui

    1992-01-01

    The transformation of δ-stabilized binary plutonium alloys to α-Pu was studies by thermodynamic analysis. A transition pressure-composition equation which can characterize the high pressure transformation from δ to α was derived. Values calculated by the equation and values measured by experiments of published references have the same tendency. the following facts can be explained properly by this equation. (1)The transformation pressure increases linearly with the amount of an alloying element. (2) The slope of the plot of transformation pressure versus composition of δ-Pu alloys is inversely proportional to the minimum amount of solute required to retain δ-phase at room temperature and pressure. (3) Curves showing the relationship between transformation pressure and composition of various δ-stabilized binary alloys interact at the same point of zero solute (transformation pressure axis). In addition, some transformation pressures from δ to α of δ-stabilized alloys are predicted by using the modified theoretical equation

  1. Rapid solidification growth mode transitions in Al-Si alloys by dynamic transmission electron microscopy

    International Nuclear Information System (INIS)

    Roehling, John D.; Coughlin, Daniel R.; Gibbs, John W.; Baldwin, J. Kevin; Mertens, James C.E.; Campbell, Geoffrey H.; Clarke, Amy J.; McKeown, Joseph T.

    2017-01-01

    In situ dynamic transmission electron microscope (DTEM) imaging of Al-Si thin-film alloys was performed to investigate rapid solidification behavior. Solidification of alloys with compositions from 1 to 15 atomic percent Si was imaged during pulsed laser melting and subsequent solidification. Solely α-Al solidification was observed in Al-1Si and Al-3Si alloys, and solely kinetically modified eutectic growth was observed in Al-6Si and Al-9Si alloys. A transition in the solidification mode in eutectic and hypereutectic alloys (Al-12Si and Al-15Si) from nucleated α-Al dendrites at lower solidification velocities to planar eutectic growth at higher solidification velocities was observed, departing from trends previously seen in laser-track melting experiments. Comparisons of the growth modes and corresponding velocities are compared with previous solidification models, and implications regarding the models are discussed.

  2. The nonmetal-metal transition in solutions of metals in molten salts

    International Nuclear Information System (INIS)

    Tosi, M.P.

    1997-04-01

    Solutions of metals in molten salts present a rich phenomenology: localization of electrons in disordered ionic media, activated electron transport increasing with metal concentration towards a nonmetal-metal (NM-M) transition, and liquid-liquid phase separation. A brief review of progress in the study of these systems is given in this article, with main focus on the NM-M transition. After recalling the known NM-M behaviour of the component elements in the case of expanded fluid alkali metals and mercury and of solid halogens under pressure, the article focuses on liquid metal - molten salt solutions and traces the different NM-M behaviours of the alkalis in their halides and of metals added to polyvalent metal halides. (author). 51 refs, 2 figs

  3. Effects of different production technologies on mechanical and metallurgical properties of precious metal denture alloys

    Science.gov (United States)

    Ferro, Paolo; Battaglia, Eleonora; Capuzzi, Stefano; Berto, Filippo

    2017-12-01

    Precious metal alloys can be supplied in traditional plate form or innovative drop form with high degree of purity. The aim of the present work is to evaluate the influence of precious metal alloy form on metallurgical and mechanical properties of the final dental products with particular reference to metal-ceramic bond strength and casting defects. A widely used alloy for denture was selected; its nominal composition was close to 55 wt% Pd - 34 wt% Ag - 6 wt% In - 3 wt% Sn. Specimens were produced starting from the alloy in both plate and drop forms. A specific test method was developed to obtain results that could be representative of the real conditions of use. In order to achieve further information about the adhesion behaviour and resistance, the fracture surfaces of the samples were observed using `Scanning Electron Microscopy (SEM)'. Moreover, material defects caused by the moulding process were studied. The form of the alloy before casting does not significantly influence the shear bond strength between the metal and the ceramic material (p-value=0,976); however, according to SEM images, products from drop form alloy show less solidification defects compared to products obtained with plate form alloy. This was attributed to the absence of polluting additives used in the production of drop form alloy. This study shows that the use of precious metal denture alloys supplied in drop form does not affect the metal-ceramic bond strength compared to alloys supplied in the traditional plate form. However, compared to the plate form, the drop form is found free of solidification defects, less expensive to produce and characterized by minor environmental impacts.

  4. Paramagnetic transition-metal carbonyls and cyanides

    International Nuclear Information System (INIS)

    Symons, M.C.R.; Bratt, S.W.; Wyatt, J.L.

    1982-01-01

    Exposure of tetra-alkylammonium salts of [Cr(CO) 5 I] - , [Mo(CO) 5 I] - , and [W(CO) 5 I] - , and dilute solutions of [Re(CO) 5 Br] and [Re(CO) 5 I] in methyltetrahydrofuran (mthf), to 60 Co γ-rays at 77 K gave electron-addition products characterized by large hyperfine coupling to the halogen and metal nuclei. Orbital populations for the extra electrons estimated therefrom showed trends characteristic of antibonding electrons, and in all cases the extra electron appears to be accommodated in the metal-halogen σ* orbital comprising primarily (dsub(Z 2 )-psub(z)). For the tungsten complex, a species exhibiting additional hyperfine coupling to a single proton was also detected. A species previously assigned the formula [Cr(CO) 5 I] was prepared, but gave no detectable e.s.r. spectrum. (author)

  5. Anharmonic Vibrational Spectroscopy on Metal Transition Complexes

    Science.gov (United States)

    Latouche, Camille; Bloino, Julien; Barone, Vincenzo

    2014-06-01

    Advances in hardware performance and the availability of efficient and reliable computational models have made possible the application of computational spectroscopy to ever larger molecular systems. The systematic interpretation of experimental data and the full characterization of complex molecules can then be facilitated. Focusing on vibrational spectroscopy, several approaches have been proposed to simulate spectra beyond the double harmonic approximation, so that more details become available. However, a routine use of such tools requires the preliminary definition of a valid protocol with the most appropriate combination of electronic structure and nuclear calculation models. Several benchmark of anharmonic calculations frequency have been realized on organic molecules. Nevertheless, benchmarks of organometallics or inorganic metal complexes at this level are strongly lacking despite the interest of these systems due to their strong emission and vibrational properties. Herein we report the benchmark study realized with anharmonic calculations on simple metal complexes, along with some pilot applications on systems of direct technological or biological interest.

  6. Development of dissimilar metal transition joint by hot bond rolling

    International Nuclear Information System (INIS)

    Kurokawa, Hiroyuki; Nakasuji, Kazuyuki; Kajimura, Haruhiko; Nagai, Takayuki; Takeda, Seiichiro.

    1997-01-01

    Metallurgically bonded transition joints which enable to connect reprocessing equipments made of superior corrosion resistant valve metals (Ti-5Ta, Zr or Ti) to stainless steel piping are required for nuclear fuel reprocessing plants. The authors have developed dissimilar transition joints made of stainless steel and Ti-5Ta, Zr or Ti with an insert metal of Ta by the hot bond rolling process of clad bars and clad pipes, using a newly developed mill called 'rotary reduction mill'. This report presents the manufacturing process of dissimilar transition joints produced from the clad pipe with three layers by the hot bond rolling. First, the method of hot bond rolling of clad pipe is proposed. Then, the mechanical and corrosion properties of the dissimilar transition joints are evaluated in detail by carrying out various tests. Finally, the rolling properties in the clad pipe method are discussed. (author)

  7. Study of transition metal oxides by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Rao, C.N.R.; Sarma, D.D.; Vasudevan, S.; Hegde, M.S.

    1979-01-01

    Systematics in the X-ray photoelectron spectra (X.p.e.s.) of Ti, V, Cr, Mn and Nb oxides with the metal ion in different oxidation states as well as of related series of mono-, sesqui- and di-oxides of the first row of transition metals have been investigated in detail. Core level binding energies, spin-orbit splittings and exchange splittings are found to exhibit interesting variations with the oxidation state of the metal or the nuclear charge. The 3d binding energies of the monoxides show a proportionality to Goodenough's (R - RC). Other aspects of interest in the study are the satellite structure and final state effects in the X.p.e.s. of the oxides, and identification of different valence states in oxides of the general formulae Mn02n-1 and M304. The nature of changes in the 3d bands of oxides undergoing metal-insulator transitions is also indicated. (author)

  8. Analysis of sulphur, phosphorus and silica in metals, alloys, inorganic compounds and solvents

    International Nuclear Information System (INIS)

    Upadhya, J.C.; Naik, S.S.; Khedikar, W.K.; Sudersanan, M.; Mathur, P.K

    1999-10-01

    Procedures for the analysis of sulphur, phosphorus and silica in various metals and alloys like mild steel, carbon steel and stainless steel as well as nickel base alloys are described. Procedures were also developed for the analysis of sulphur in thoria pellets and in other materials like crack check fluids, coal etc. Typical results obtained are summarised. (author)

  9. Transition metal carbide nanocomposite and amorphous thin films

    OpenAIRE

    Tengstrand, Olof

    2014-01-01

    This thesis explores thin films of binary and ternary transition metal carbides, in the Nb-C, Ti-Si-C, Nb-Si-C, Zr-Si-C, and Nb-Ge-C systems. The electrical and mechanical properties of these systems are affected by their structure and here both nanocomposite and amorphous thin films are thus investigated. By appropriate choice of transition metal and composition the films can be designed to be multifunctional with a combination of properties, such as low electric resistivity, low contact res...

  10. Electrochemical oxidation of zirconium alloys in pre-transition and post-transition kinetic regimes at corrosion in electrolyte solutions

    International Nuclear Information System (INIS)

    Barkov, A.A.; Shavshin, V.M.

    1986-01-01

    With the aim of investigation on oxidation of zirconium alloys (Zr+2.5% Nb) the critical thickness of beginning of spalling of froming oxide films in HCl and NHO 3 aqueous solutions was evaluated by coulometry with accelerated procedure. Some variants of predeposition of modificated oxide coatings are proposed increase pre-transition regime time and to decrease corrosion during post-transition regime. Increase in agressivity of solutions (addition of 1 vol.% HF) and UV irradiation are found to increase 3-4 times pre-transition period

  11. Integrating Transition Metals into Nanomaterials: Strategies and Applications

    KAUST Repository

    Fhayli, Karim

    2016-04-14

    Transition metals complexes have been involved in various catalytic, biomedical and industrial applications, but only lately they have been associated with nanomaterials to produce innovative and well-defined new hybrid systems. The introduction of transition metals into nanomaterials is important to bear the advantages of metals to nanoscale and also to raise the stability of nanomaterials. In this dissertation, we study two approaches of associating transition metals into nanomaterials. The first approach is via spontaneous self-organization based assembly of small molecule amphiphiles and bulky hydrophilic polymers to produce organic-inorganic hybrid materials that have nanoscale features and can be precisely controlled depending on the experimental conditions used. These hybrid materials can successfully act as templates to design new porous material with interesting architecture. The second approach studied is via electroless reduction of transition metals on the surface of nanocarbons (nanotubes and nanodiamonds) without using any reducing agents or catalysts. The synthesis of these systems is highly efficient and facile resulting in stable and mechanically robust new materials with promising applications in catalysis.

  12. Integrating Transition Metals into Nanomaterials: Strategies and Applications

    KAUST Repository

    Fhayli, Karim

    2016-01-01

    Transition metals complexes have been involved in various catalytic, biomedical and industrial applications, but only lately they have been associated with nanomaterials to produce innovative and well-defined new hybrid systems. The introduction of transition metals into nanomaterials is important to bear the advantages of metals to nanoscale and also to raise the stability of nanomaterials. In this dissertation, we study two approaches of associating transition metals into nanomaterials. The first approach is via spontaneous self-organization based assembly of small molecule amphiphiles and bulky hydrophilic polymers to produce organic-inorganic hybrid materials that have nanoscale features and can be precisely controlled depending on the experimental conditions used. These hybrid materials can successfully act as templates to design new porous material with interesting architecture. The second approach studied is via electroless reduction of transition metals on the surface of nanocarbons (nanotubes and nanodiamonds) without using any reducing agents or catalysts. The synthesis of these systems is highly efficient and facile resulting in stable and mechanically robust new materials with promising applications in catalysis.

  13. Ductile and brittle transition behavior of titanium alloys in ultra-precision machining.

    Science.gov (United States)

    Yip, W S; To, S

    2018-03-02

    Titanium alloys are extensively applied in biomedical industries due to their excellent material properties. However, they are recognized as difficult to cut materials due to their low thermal conductivity, which induces a complexity to their deformation mechanisms and restricts precise productions. This paper presents a new observation about the removal regime of titanium alloys. The experimental results, including the chip formation, thrust force signal and surface profile, showed that there was a critical cutting distance to achieve better surface integrity of machined surface. The machined areas with better surface roughness were located before the clear transition point, defining as the ductile to brittle transition. The machined area at the brittle region displayed the fracture deformation which showed cracks on the surface edge. The relationship between depth of cut and the ductile to brittle transaction behavior of titanium alloys in ultra-precision machining(UPM) was also revealed in this study, it showed that the ductile to brittle transaction behavior of titanium alloys occurred mainly at relatively small depth of cut. The study firstly defines the ductile to brittle transition behavior of titanium alloys in UPM, contributing the information of ductile machining as an optimal machining condition for precise productions of titanium alloys.

  14. Coated air-stable cobalt--rare earth alloy particles and method

    International Nuclear Information System (INIS)

    Smeggil, J.C.; Charles, R.J.

    1975-01-01

    A process is described for producing novel air-stable coated particles of a magnetic transition metal-rare earth alloys. An organometallic compound which decomposes at a temperature below 500 0 C is heated to produce a metal vapor which is contacted with particles of a transition metal-rare earth alloy to deposit a metal coating on the particles. (U.S.)

  15. Catalytic olefin polymerization with early transition metal compounds

    OpenAIRE

    Eshuis, Johan Jan Willem

    1991-01-01

    The catalysis of organic reactions by soluble metal complexes has become a major tool in synthesis, both in the laboratory and in the chemical industry. Processes catalyzed by transition metal complexes include carbonylation, olefin polymerization, olefin addition, olefin oxidation and alkane and arene oxidation. Traditionally, heterogeneous catalysts have been used for the production of large-scale commodity chemicals such as methanol and ammonia and in the production of high octane gasoline...

  16. Polarographic methods for the analysis of beryllium metal and its alloys

    International Nuclear Information System (INIS)

    Wells, J.M.

    1975-10-01

    This report describes polarographic methods for the analysis of beryllium metal and its alloys. The elements covered by these methods are aluminium, bismuth, cadmium, cobalt, copper, iron, lead, molybdenum, nickel, thallium, tungsten, uranium, vanadium and zinc. (author)

  17. The efficacy of noble metal alloy urinary catheters in reducing catheter-associated urinary tract infection

    Directory of Open Access Journals (Sweden)

    Alanood Ahmed Aljohi

    2016-01-01

    Results: A 90% relative risk reduction in the rate of CAUTI was observed with the noble metal alloy catheter compared to the standard catheter (10 vs. 1 cases, P = 0.006. When considering both catheter-associated asymptomatic bacteriuria and CAUTI, the relative risk reduction was 83% (12 vs. 2 cases, P = 0.005. In addition to CAUTI, the risk of acquiring secondary bacteremia was lower (100% for the patients using noble metal alloy catheters (3 cases in the standard group vs. 0 case in the noble metal alloy catheter group, P = 0.24. No adverse events related to any of the used catheters were recorded. Conclusion: Results from this study revealed that noble metal alloy catheters are safe to use and significantly reduce CAUTI rate in ICU patients after 3 days of use.

  18. Liquid alkali metals and alkali-based alloys as electron-ion plasmas

    International Nuclear Information System (INIS)

    Tosi, M.P.

    1981-06-01

    The article reviews the theory of thermodynamic and structural properties of liquid alkali metals and alkali-based alloys, within the framework of linear screening theory for the electron-ion interactions. (author)

  19. Dispersion strengthened ferritic alloy for use in liquid-metal fast breeder reactors (LMFBRS)

    International Nuclear Information System (INIS)

    Fischer, J.J.

    1978-01-01

    A dispersion-strengthened ferritic alloy is provided which has high-temperature strength and is readily fabricable at ambient temperatures, and which is useful as structural elements of liquid-metal fast breeder reactors. 4 tables

  20. Manipulating Light with Transition Metal Clusters, Organic Dyes, and Metal Organic Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Ogut, Serdar [Univ. of Illinois, Chicago, IL (United States)

    2017-09-11

    The primary goals of our research program is to develop and apply state-of-the-art first-principles methods to predict electronic and optical properties of three systems of significant scientific and technological interest: transition metal clusters, organic dyes, and metal-organic frameworks. These systems offer great opportunities to manipulate light for a wide ranging list of energy-related scientific problems and applications. During this grant period, we focused our investigations on the development, implementation, and benchmarking of many-body Green’s function methods (GW approximation and the Bethe-Salpeter equation) to examine excited-state properties of transition metal/transition-metal-oxide clusters and organic molecules that comprise the building blocks of dyes and metal-organic frameworks.

  1. Metal-Insulator Transition Driven by Vacancy Ordering in GeSbTe Phase Change Materials.

    Science.gov (United States)

    Bragaglia, Valeria; Arciprete, Fabrizio; Zhang, Wei; Mio, Antonio Massimiliano; Zallo, Eugenio; Perumal, Karthick; Giussani, Alessandro; Cecchi, Stefano; Boschker, Jos Emiel; Riechert, Henning; Privitera, Stefania; Rimini, Emanuele; Mazzarello, Riccardo; Calarco, Raffaella

    2016-04-01

    Phase Change Materials (PCMs) are unique compounds employed in non-volatile random access memory thanks to the rapid and reversible transformation between the amorphous and crystalline state that display large differences in electrical and optical properties. In addition to the amorphous-to-crystalline transition, experimental results on polycrystalline GeSbTe alloys (GST) films evidenced a Metal-Insulator Transition (MIT) attributed to disorder in the crystalline phase. Here we report on a fundamental advance in the fabrication of GST with out-of-plane stacking of ordered vacancy layers by means of three distinct methods: Molecular Beam Epitaxy, thermal annealing and application of femtosecond laser pulses. We assess the degree of vacancy ordering and explicitly correlate it with the MIT. We further tune the ordering in a controlled fashion attaining a large range of resistivity. Employing ordered GST might allow the realization of cells with larger programming windows.

  2. Metal - Insulator Transition Driven by Vacancy Ordering in GeSbTe Phase Change Materials

    Science.gov (United States)

    Bragaglia, Valeria; Arciprete, Fabrizio; Zhang, Wei; Mio, Antonio Massimiliano; Zallo, Eugenio; Perumal, Karthick; Giussani, Alessandro; Cecchi, Stefano; Boschker, Jos Emiel; Riechert, Henning; Privitera, Stefania; Rimini, Emanuele; Mazzarello, Riccardo; Calarco, Raffaella

    2016-04-01

    Phase Change Materials (PCMs) are unique compounds employed in non-volatile random access memory thanks to the rapid and reversible transformation between the amorphous and crystalline state that display large differences in electrical and optical properties. In addition to the amorphous-to-crystalline transition, experimental results on polycrystalline GeSbTe alloys (GST) films evidenced a Metal-Insulator Transition (MIT) attributed to disorder in the crystalline phase. Here we report on a fundamental advance in the fabrication of GST with out-of-plane stacking of ordered vacancy layers by means of three distinct methods: Molecular Beam Epitaxy, thermal annealing and application of femtosecond laser pulses. We assess the degree of vacancy ordering and explicitly correlate it with the MIT. We further tune the ordering in a controlled fashion attaining a large range of resistivity. Employing ordered GST might allow the realization of cells with larger programming windows.

  3. Ternary scandium and transition metals germanides

    International Nuclear Information System (INIS)

    Kotur, B.Ya.

    1992-01-01

    Brief review of data on phase diagram of ternary Sc-Me-Ge systems (Me-d - , f-transition element) is given. Isothermal sections at 870 and 1070 K of 17 ternary systems are plotted. Compositions and their structural characteristics are presented. Variability of crystal structure is typical for ternary scandium germanides: 70 compounds with the studied structure belong to 23 structural types. Ternary germanides isostructural to types of Sm 4 Ge 4 , ZrCrSi 2 , ZrNiAl, ScCeSi, TiNiSi U 4 Re 7 Si 6 145 compounds from 70 under investigation are mostly formed in studied systems

  4. A FeNiMnC alloy with strain glass transition

    Directory of Open Access Journals (Sweden)

    Hui Ma

    2018-02-01

    Full Text Available Recent experimental and theoretical investigations suggested that doping sufficient point defects into a normal ferroelastic/martensitic alloy systems could lead to a frozen disordered state of local lattice strains (nanomartensite domains, thereby suppressing the long-range strain-ordering martensitic transition. In this study, we attempt to explore the possibility of developing novel ferrous Elinvar alloys by replacing nickel with carbon and manganese as dopant species. A nominal Fe89Ni5Mn4.6C1.4 alloy was prepared by argon arc melting, and XRD, DSC, DMA and TEM techniques were employed to characterize the strain glass transition signatures, such as invariance in average structure, frequency dispersion in dynamic mechanical properties (storage modulus and internal friction and the formation of nanosized strain domains. It is indicated that doping of Ni, Mn and C suppresses γ→α long-range strain-ordering martensitic transformation in Fe89Ni5Mn4.6C1.4 alloy, generating randomly distributed nanosized domains by strain glass transition. Keywords: Strain glass transition, Elinvar alloys, Point defects, Nanosized domains

  5. Spin-diffusion lengths in metals and alloys, and spin-flipping at metal/metal interfaces: an experimentalist's critical review

    International Nuclear Information System (INIS)

    Bass, Jack; Pratt, William P Jr

    2007-01-01

    In magnetoresistance (MR) studies of magnetic multilayers composed of combinations of ferromagnetic (F) and non-magnetic (N) metals, the magnetic moment (or related 'spin') of each conduction electron plays a crucial role, supplementary to that of its charge. While initial analyses of MR in such multilayers assumed that the direction of the spin of each electron stayed fixed as the electron transited the multilayer, we now know that this is true only in a certain limit. Generally, the spins 'flip' in a distance characteristic of the metal, its purity, and the temperature. They can also flip at F/N or N1/N2 interfaces. In this review we describe how to measure the lengths over which electron moments flip in pure metals and alloys, and the probability of spin-flipping at metallic interfaces. Spin-flipping within metals is described by a spin-diffusion length, l sf M , where the metal M F or N. Spin-diffusion lengths are the characteristic lengths in the current-perpendicular-to-plane (CPP) and lateral non-local (LNL) geometries that we focus upon in this review. In certain simple cases, l sf N sets the distance over which the CPP-MR and LNL-MR decrease as the N-layer thickness (CPP-MR) or N-film length (LNL) increases, and l sf F does the same for increase of the CPP-MR with increasing F-layer thickness. Spin-flipping at M1/M2 interfaces can be described by a parameter, δ M1/M2 , which determines the spin-flipping probability, P = 1-exp(-δ). Increasing δ M1/M2 usually decreases the MR. We list measured values of these parameters and discuss the limitations on their determinations. (topical review)

  6. Combined transmission electron microscope and ion channeling study of metastable metal alloys formed by ion implantation

    International Nuclear Information System (INIS)

    Cullis, A.G.; Borders, J.A.; Hirvonen, J.K.; Poate, J.M.

    1977-01-01

    Recently, ion implantation has been used to produce metastable alloy layers with a range of structures from crystalline substitutional solid solutions to amorphous. The technique offers the possibility of producing metastable metal layers with unique physical properties. Its application in the formation of alloys exhibiting different although complementary types of metastability is described. The metal combinations chosen (Ag-Cu and Ta-Cu) show little mutual solubility under equilibrium conditions

  7. Intermartensitic transitions in Ni-Mn-Fe-Cu-Ga Heusler alloys

    International Nuclear Information System (INIS)

    Khan, Mahmud; Gautam, Bhoj; Pathak, Arjun; Dubenko, Igor; Stadler, Shane; Ali, Naushad

    2008-01-01

    A series of Fe doped Ni 2 Mn 0.75-x Fe x Cu 0.25 Ga Heusler alloys have been investigated by means of x-ray diffraction, magnetizations, thermal expansion, and electrical resistivity measurements. In Ni 2 Mn 0.75 Cu 0.25 Ga, martensitic and ferromagnetic transitions occur at the same temperature. Partial substitution of Mn by Fe results in a decrease of the martensitic transition temperature, T M , and an increase of the ferromagnetic transition temperature, T C , resulting in separation of the two transitions. In addition to the martensitic transition, complete thermoelastic intermartensitic transformations have been observed in the Fe doped Ni 2 Mn 0.75-x Fe x Cu 0.25 Ga samples with x>0.04. An unusual transition is observed in the alloy with x = 0.04. The magnetization curve as a function of increasing temperature shows only one first-order transition in the temperature range 5-400 K, which is identified as a typical coupled magnetostructural martensitic transformation. The magnetization curve as a function of decreasing temperature shows three different transitions, which are characterized as the ferromagnetic transition, the martensitic transition and the intermartensitic transition.

  8. Understanding the resistivity and absolute thermoelectric power of disordered metals and alloys

    International Nuclear Information System (INIS)

    Gasser, Jean-Georges

    2008-01-01

    We recall definitions of the electronic transport properties, direct coefficients like electrical and thermal transport conductivities and crossed thermoelectric coefficients like the Seebeck, Peltier and Thomson coefficients. We discuss the links between the different electronic transport coefficients and the experimental problems in measuring these properties in liquid metals. The electronic transport properties are interpreted in terms of the scattering of electrons by 'pseudo-atoms'. The absolute thermoelectric power (ATP), thermopower or Seebeck coefficient is known as the derivative of the electrical resistivity versus energy. The key is to understand the concept of resistivity versus energy. We show that the resistivity follows approximately a 1/E curve. The structure factor modulates this curve and, for a Fermi energy corresponding to noble and divalent metals, induces a positive thermopower when the free electron theory predicts a negative one. A second modulation is introduced by the pseudopotential squared form factor or equivalently by the squared t matrix of the scattering potential. This term sometimes introduces an anti-resonance (divalent metals) which lowers the resistivity, and sometimes a resonance having an important effect on the transition metals. Following the position of the Fermi energy, the thermopower can be positive or negative. For heavy semi-metals, the density of states splits into an s and a p band, themselves different from a free electron E 0.5 curve. The electrons available to be scattered enter the Ziman formula. Thus if the density of states is not a free electron one, a third modulation of the ρ ≅ 1/E curve is needed, which also can change the sign of the thermopower. For alloys, different contributions weighted by the concentrations are needed to explain the concentration dependent resistivity or thermopower. The formalism is the same for amorphous metals. It is possible that this mechanism can be extended to high

  9. Phase transition and ductile behavior of IrxOs1-xN alloys from theoretical point of view

    Science.gov (United States)

    Sarwan, Madhu; Singh, Sadhna

    2018-05-01

    Present paper reports theoretical investigation of less explored nitrides of Iridium and Osmium using semi-empirical model with charge transfer effect (CTE). This work indicates the presence of structural phase transition in these nitrides from zinc-blend (B3) to rock-salt (B1) structure on application of pressure on them. Transitions occurred at 71 GPa and 86 GPa, with sudden drops in volume of 9.54% and 8.35% in IrN and OsN. The effect of pressure on elastic properties for B3-IrN and B3-OsN is investigated for the first time. On the basis of mechanical properties, it is observed that both compounds are ductile in nature. The present study is extended to investigate transition metal alloy IrxOs1-xN via Vegard's law. To widen the applicability of our model and to explore this alloy we report structural, elastic, mechanical and thermophysical properties. The effect of pressure on Debye temperature with different concentration (x = 0, 0.25, 0.5, 0.75, 1) have also been analyzed. The results are in general in good agreement with available theoretical results.

  10. Electronic and thermodynamic properties of transition metal elements and compounds

    International Nuclear Information System (INIS)

    Haeglund, J.

    1993-01-01

    This thesis focuses on the use of band-structure calculations for studying thermodynamic properties of solids. We discuss 3d-, 4d- and 5d-transition metal carbides and nitrides. Through a detailed comparison between theoretical and experimental results, we draw conclusions on the character of the atomic bonds in these materials. We show how electronic structure calculations can be used to give accurate predictions for bonding energies. Part of the thesis is devoted to the application of the generalized gradient approximation in electronic structure calculations on transition metals. For structures with vibrational disorder, we present a method for calculating averaged phonon frequencies without using empirical information. For magnetic excitations, we show how a combined use of theoretical results and experimental data can yield information on magnetic fluctuations at high temperatures. The main results in the thesis are: Apart for an almost constant shift, theoretically calculated bonding energies for transition metal carbides and nitrides agree with experimental data or with values from analysis of thermochemical information. The electronic spectrum of transition metal carbides and nitrides can be separated into bonding, antibonding and nonbonding electronic states. The lowest enthalpy of formation for substoichiometric vanadium carbide VC 1-X at zero temperature and pressure occurs for a structure containing vacancies (x not equal to 0). The generalized gradient approximation improves theoretical calculated cohesive energies for 3d-transition metals. Magnetic phase transitions are sensitive to the description of exchange-correlation effects in electronic structure calculations. Trends in Debye temperatures can be successfully analysed in electronic structure calculations on disordered lattices. For the elements, there is a clear dependence on the crystal structure (e.g., bcc, fcc or hcp). Chromium has fluctuating local magnetic moments at temperatures well above

  11. Review of alkali metal and refractory alloy compatibility for Rankine cycle applications

    International Nuclear Information System (INIS)

    DiStefano, J.R.

    1989-01-01

    The principal corrosion mechanisms in refractory metal-alkali systems are dissolution, mass transfer, and impurity reactions. In general, niobium, tantalum, molybdenum, and tungsten have low solubilities in the alkali metals, even to very high temperatures, and static corrosion studies have verified that the systems are basically compatible. Loop studies with niobium and tantalum based alloys do not indicate any serious problems due to temperature gradient mass transfer. Above 1000 K, dissimilar metal mass transfer is noted between the refractory metals and iron or nickel based alloys. The most serious corrosion problems encountered are related to impurity reactions associated with oxygen

  12. An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. I. Model and validation

    Energy Technology Data Exchange (ETDEWEB)

    Hegde, Ganesh, E-mail: ghegde@purdue.edu; Povolotskyi, Michael; Kubis, Tillmann; Klimeck, Gerhard, E-mail: gekco@purdue.edu [Network for Computational Nanotechnology (NCN), Department of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Boykin, Timothy [Department of Electrical and Computer Engineering, University of Alabama, Huntsville, Alabama (United States)

    2014-03-28

    Semi-empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper, an environment-aware and transferable TB model suitable for electronic structure and transport simulations in technologically relevant metals, metallic alloys, metal nanostructures, and metallic interface systems are described. Part I of this paper describes the development and validation of the new TB model. The new model incorporates intra-atomic diagonal and off-diagonal elements for implicit self-consistency and greater transferability across bonding environments. The dependence of the on-site energies on strain has been obtained by appealing to the Moments Theorem that links closed electron paths in the system to energy moments of angular momentum resolved local density of states obtained ab initio. The model matches self-consistent density functional theory electronic structure results for bulk face centered cubic metals with and without strain, metallic alloys, metallic interfaces, and metallic nanostructures with high accuracy and can be used in predictive electronic structure and transport problems in metallic systems at realistically extended length scales.

  13. An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. I. Model and validation

    International Nuclear Information System (INIS)

    Hegde, Ganesh; Povolotskyi, Michael; Kubis, Tillmann; Klimeck, Gerhard; Boykin, Timothy

    2014-01-01

    Semi-empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper, an environment-aware and transferable TB model suitable for electronic structure and transport simulations in technologically relevant metals, metallic alloys, metal nanostructures, and metallic interface systems are described. Part I of this paper describes the development and validation of the new TB model. The new model incorporates intra-atomic diagonal and off-diagonal elements for implicit self-consistency and greater transferability across bonding environments. The dependence of the on-site energies on strain has been obtained by appealing to the Moments Theorem that links closed electron paths in the system to energy moments of angular momentum resolved local density of states obtained ab initio. The model matches self-consistent density functional theory electronic structure results for bulk face centered cubic metals with and without strain, metallic alloys, metallic interfaces, and metallic nanostructures with high accuracy and can be used in predictive electronic structure and transport problems in metallic systems at realistically extended length scales

  14. An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. I. Model and validation

    Science.gov (United States)

    Hegde, Ganesh; Povolotskyi, Michael; Kubis, Tillmann; Boykin, Timothy; Klimeck, Gerhard

    2014-03-01

    Semi-empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper, an environment-aware and transferable TB model suitable for electronic structure and transport simulations in technologically relevant metals, metallic alloys, metal nanostructures, and metallic interface systems are described. Part I of this paper describes the development and validation of the new TB model. The new model incorporates intra-atomic diagonal and off-diagonal elements for implicit self-consistency and greater transferability across bonding environments. The dependence of the on-site energies on strain has been obtained by appealing to the Moments Theorem that links closed electron paths in the system to energy moments of angular momentum resolved local density of states obtained ab initio. The model matches self-consistent density functional theory electronic structure results for bulk face centered cubic metals with and without strain, metallic alloys, metallic interfaces, and metallic nanostructures with high accuracy and can be used in predictive electronic structure and transport problems in metallic systems at realistically extended length scales.

  15. Phase separation and structure formation in gadolinium based liquid and glassy metallic alloys

    International Nuclear Information System (INIS)

    Han, Junhee

    2014-01-01

    In this PhD research the liquid-liquid phase separation phenomena in Gd-based alloys was investigated in terms of phase equilibria, microstructure formation upon quenching the melt and corresponding magnetic properties of phase-separated metallic glasses. The phase diagrams of the binary subsystems Gd-Zr and Gd-Ti were experimentally reassessed. Especially the phase equilibria with the liquid phase could be determined directly by combining in situ high energy synchrotron X-ray diffraction with electrostatic levitation of the melt. The Gd-Zr system is of eutectic type with a metastable miscibility gap. The eutectic composition at 18 ± 2 at.% Zr, the liquidus line and the coexistence of bcc-Zr and bcc-Gd at elevated temperature could be determined. The Gd-Ti system is a monotectic system. The experimental observations in this work led to improved new Gd-Zr and Gd-Ti phase diagrams. The phase equilibria of the ternary Gd-Ti-Co system were analyzed for two alloy compositions. The XRD patterns for molten Gd 35 Ti 35 Co 30 gave direct evidence for the coexistence of two liquid phases formed by liquid-liquid phase separation. The first experimental and thermodynamic assessment of the ternary Gd-Ti-Co system revealed that the stable miscibility gap of binary Gd-Ti extends into the ternary Gd-Ti-Co system (up to about 30 at.% Co). New phase-separated metallic glasses were synthesized in Gd-TM-Co-Al (TM = Hf, Ti or Zr) alloys. The microstructure was characterized in terms of composition and cooling rate dependence of phase separation. Due to large positive enthalpy of mixing between Gd on the one side and Hf, Ti or Zr on the other side, the alloys undergo liquid-liquid phase separation during rapid quenching the melt. The parameters determining the microstructure development during phase separation are the thermodynamic properties of the liquid phase, kinetic parameters and quenching conditions. By controlling these parameters and conditions the microstructure can be

  16. Local lattice relaxations in random metallic alloys: Effective tetrahedron model and supercell approach

    DEFF Research Database (Denmark)

    Ruban, Andrei; Simak, S.I.; Shallcross, S.

    2003-01-01

    We present a simple effective tetrahedron model for local lattice relaxation effects in random metallic alloys on simple primitive lattices. A comparison with direct ab initio calculations for supercells representing random Ni0.50Pt0.50 and Cu0.25Au0.75 alloys as well as the dilute limit of Au-ri......-rich CuAu alloys shows that the model yields a quantitatively accurate description of the relaxtion energies in these systems. Finally, we discuss the bond length distribution in random alloys....

  17. Search for positron localization near transition-metal solutes of negative effective charge in Ni and Cu

    International Nuclear Information System (INIS)

    Hunter, D.M.; Grynszpan, R.I.; Arrott, A.S.

    1993-01-01

    Results of an early (1973) angular correlation (ACAR) study of dilute (0.5 at.%) Cu based alloys by a Japanese group were interpreted in terms of an attraction of e + by transition metal solutes of effective negative charge. Doppler Broadening (DB) measurements reveal no such an effect for Cu(Mn) and Cu(Ni) solid solutions as well as for Ni alloys with 3d, 4d and 5d transition metal solutes (0.1 to 1.5 at.%) i.e. no evidence of e + localization near these impurities is seen. Our results strongly suggest that the ACAR results are due to the metallurgical state of the samples. In contrast, significant DB lineshape parameter variations, observed for our Ni(Zr) alloys, are attributed to positron trapping in and near Ni 5 Zr precipitates. Our DB results for a series of Ni(Au) alloys are understood in terms of a combination of the effect of an overall lattice expansion and a positron preference for clusters of Au atoms. The above comparison between DB and ACAR results is supported by our 'spin polarized' DB results for a (001) Ni single crystal which resemble those obtained by other groups using a 'spin polarized' 2D-ACAR technique. (orig.)

  18. Creep of FINEMET alloy at amorphous to nanocrystalline transition

    NARCIS (Netherlands)

    Csach, K.; Miškuf, J.; Juríková, A.; Ocelík, V.

    2009-01-01

    The application of FINEMET-type materials with specific magnetic properties prepared by the crystallization of amorphous alloys is often limited by their brittleness. The structure of these materials consists of nanosized Fe-based grains surrounded with amorphous phase. Then the final macroscopic

  19. Superconductivity Series in Transition Metal Dichalcogenides by Ionic Gating

    NARCIS (Netherlands)

    Shi, Wu; Ye, Jianting; Zhang, Yijin; Suzuki, Ryuji; Yoshida, Masaro; Miyazaki, Jun; Inoue, Naoko; Saito, Yu; Iwasa, Yoshihiro

    2015-01-01

    Functionalities of two-dimensional (2D) crystals based on semiconducting transition metal dichalcogenides (TMDs) have now stemmed from simple field effect transistors (FETs) to a variety of electronic and opto-valleytronic devices, and even to superconductivity. Among them, superconductivity is the

  20. Mechanical failure and glass transition in metallic glasses

    International Nuclear Information System (INIS)

    Egami, T.

    2011-01-01

    Research highlights: → We review the recent results of molecular dynamics simulations on metallic glasses. → They show the equivalence of mechanical failure and glass transition. → We discuss the microscopic mechanism behind this equivalence. → We show that the density of defects in metallic glasses is as high as a quarter. → Our concepts about the defect state in glasses need to be changed. - Abstract: The current majority view on the phenomenon of mechanical failure in metallic glasses appears to be that it is caused by the activity of some structural defects, such as free-volumes or shear transformation zones, and the concentration of such defects is small, only of the order of 1%. However, the recent results compel us to revise this view. Through molecular dynamics simulation it has been shown that mechanical failure is the stress-induced glass transition. According to our theory the concentration of the liquid-like sites (defects) is well over 20% at the glass transition. We suggest that the defect concentration in metallic glasses is actually very high, and percolation of such defects causes atomic avalanche and mechanical failure. In this article we discuss the glass transition, mechanical failure and viscosity from such a point of view.

  1. Transition metal oxide loaded MCM catalysts for photocatalytic ...

    Indian Academy of Sciences (India)

    Transition metal oxide (TiO2, Fe2O3, CoO) loaded MCM-41 and MCM-48 were synthesized by a two-step .... washed consecutively with water and ethanol, and cal- cined at 823 K for 5 .... conversion was observed in 1 h when the reaction was.

  2. Semiconductor-Metal transition in a quantum well

    International Nuclear Information System (INIS)

    Nithiananthi, P.; Jayakumar, K.

    2007-01-01

    We demonstrate semiconductor-metal transition through diamagnetic susceptibility of a donor in a GaAs/Al x Ga 1- x As quantum well for both infinite and finite barrier models. We have also considered the non-parabolicity of the conduction band in our calculation. Our results agree with the earlier theoretical result and also with the recent experimental result

  3. Reactions of transition metal complexes with cyclic ethers

    International Nuclear Information System (INIS)

    Milstein, D.

    1977-02-01

    Three novel reactions of epoxides with homogeneous transition-metal catalysts have been explored: (a) the selective rearrangement of internal epoxides to ketones; (b) the cleavage of C-C bond in epoxides having electron-attracting substituents; (c) the transformation of terminal epoxides into esters. Based on an intensive kinetic study, a general mechanism for the transformations of epoxides is postulated

  4. Exciton ionization in multilayer transition-metal dichalcogenides

    DEFF Research Database (Denmark)

    Pedersen, Thomas Garm; Latini, Simone; Thygesen, Kristian Sommer

    2016-01-01

    Photodetectors and solar cells based on materials with strongly bound excitons rely crucially on field-assisted exciton ionization. We study the ionization process in multilayer transition-metal dichalcogenides (TMDs) within the Mott-Wannier model incorporating fully the pronounced anisotropy...

  5. Coordination to transition metal surfaces : a theoretical study

    NARCIS (Netherlands)

    Santen, van R.A.

    1985-01-01

    A theoretical framework is developed that describes the chemisorption of CO to transition metal surfaces analogous to the HOMO-LUMO concept of MO theory. An explanation is given for the exptl. observation that CO adsorbs on top at the (111), face of Pt, but bridge at the (111) face of Ni. One is due

  6. Vibrational properties of vacancy in bcc transition metals using ...

    Indian Academy of Sciences (India)

    The calculated results of the formation entropy of the vacancy compared well with other available ... for Fe, Mo and W transition metals employing a third-neighbour model. ... For the atomic electron density we have chosen a power law: f (r) = fe.

  7. Biomass transition metal hydrogen-evolution electrocatalysts and electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Wei-Fu; Iyer, Shweta; Iyer, Shilpa; Sasaki, Kotaro; Muckerman, James T.; Fujita, Etsuko

    2017-02-28

    A catalytic composition from earth-abundant transition metal salts and biomass is disclosed. A calcined catalytic composition formed from soybean powder and ammonium molybdate is specifically exemplified herein. Methods for making the catalytic composition are disclosed as are electrodes for hydrogen evolution reactions comprising the catalytic composition.

  8. The Fifth International Ural seminar. Radiation damage physics of metals and alloys. Abstracts

    International Nuclear Information System (INIS)

    2003-01-01

    Presented are the abstracts of The Fifth International Ural seminar Damage physics of metals and alloys. General problems of radiation damage physics, radiation effect on change of microstucture and the properties of metals and alloys, as well as materials for nuclear and thermonuclear energetics are considered. The themes of reports are the following: correlation effects in cascades of atom-atomic collisions; radiation-induced strengthening critical current density in YBa 2 Cu 3 O 7-x superconductors; conditions of forming and hydrides growth in irradiated zirconium alloys [ru

  9. Production of titanium alloys with uniform distribution of heat resisting metals

    International Nuclear Information System (INIS)

    Reznichenko, V.A.; Goncharenko, T.V.; Khalimov, F.B.; Vojtechova, E.A.

    1976-01-01

    Consideration is given to the process of the formation of a titanium sponge alloyed with niobium or tantalum, in the joint metallic reduction of titanium, niobium and tantanum chlorides. A percentage composition of the phases observed and the structure of the alloyed sponge have been studied. It is shown that after one remelting operation of the alloyed sponge the alloys of titanium with niobium and tantalum have a uniform component distribution. At the stage of chloride reduction there appear solid solutions based on titanium and an alloying component. The stage of vacuum separation of the reaction mass is associated with a mutual dissolution of the primary phases and the formation of the solid solutions of the alloyed titanium sponge, which, by their composition, are close to the desired alloy composition. The principal features of the formation of a titanium sponge alloyed with niobium and tantalum are in a perfect agreemet with those typical of Ti-Mo and Ti-W sponges, therefore it can be assumed that these features will be also common to the other cases of the metallic reduction of titanium and refractory metals chlorides

  10. Production of titanium alloys with uniform distribution of heat resisting metals

    Energy Technology Data Exchange (ETDEWEB)

    Reznichenko, V A; Goncharenko, T V; Khalimov, F B; Voitechova, E A

    1976-01-01

    Consideration is given to the process of the formation of a titanium sponge alloyed with niobium or tantalum, in the joint metallic reduction of titanium, niobium and tantanum chlorides. A percentage composition of the phases observed and the structure of the alloyed sponge have been studied. It is shown that after one remelting operation of the alloyed sponge the alloys of titanium with niobium and tantalum have a uniform component distribution. At the stage of chloride reduction there appear solid solutions based on titanium and an alloying component. The stage of vacuum separation of the reaction mass is associated with a mutual dissolution of the primary phases and the formation of the solid solutions of the alloyed titanium sponge, which, by their composition, are close to the desired alloy composition. The principal features of the formation of a titanium sponge alloyed with niobium and tantalum are in a perfect agreemet with those typical of Ti-Mo and Ti-W sponges, therefore it can be assumed that these features will be also common to the other cases of the metallic reduction of titanium and refractory metals chlorides.

  11. On the thermodynamics of phase transitions in metal hydrides

    Science.gov (United States)

    di Vita, Andrea

    2012-02-01

    Metal hydrides are solutions of hydrogen in a metal, where phase transitions may occur depending on temperature, pressure etc. We apply Le Chatelier's principle of thermodynamics to a particular phase transition in TiH x , which can approximately be described as a second-order phase transition. We show that the fluctuations of the order parameter correspond to fluctuations both of the density of H+ ions and of the distance between adjacent H+ ions. Moreover, as the system approaches the transition and the correlation radius increases, we show -with the help of statistical mechanics-that the statistical weight of modes involving a large number of H+ ions (`collective modes') increases sharply, in spite of the fact that the Boltzmann factor of each collective mode is exponentially small. As a result, the interaction of the H+ ions with collective modes makes a tiny suprathermal fraction of the H+ population appear. Our results hold for similar transitions in metal deuterides, too. A violation of an -insofar undisputed-upper bound on hydrogen loading follows.

  12. Ultrasonic characterization of microstructure in powder metal alloy

    Science.gov (United States)

    Tittmann, B. R.; Ahlberg, L. A.; Fertig, K.

    1986-01-01

    The ultrasonic wave propagation characteristics were measured for IN-100, a powder metallurgy alloy used for aircraft engine components. This material was as a model system for testing the feasibility of characterizing the microstructure of a variety of inhomogeneous media including powder metals, ceramics, castings and components. The data were obtained for a frequency range from about 2 to 20 MHz and were statistically averaged over numerous volume elements of the samples. Micrographical examination provided size and number distributions for grain and pore structure. The results showed that the predominant source for the ultrasonic attenuation and backscatter was a dense (approx. 100/cubic mm) distribution of small micropores (approx. 10 micron radius). Two samples with different micropore densities were studied in detail to test the feasibility of calculating from observed microstructural parameters the frequency dependence of the microstructural backscatter in the regime for which the wavelength is much larger than the size of the individual scattering centers. Excellent agreement was found between predicted and observed values so as to demonstrate the feasibility of solving the forward problem. The results suggest a way towards the nondestructive detection and characterization of anomalous distributions of micropores when conventional ultrasonic imaging is difficult. The findings are potentially significant toward the application of the early detection of porosity during the materials fabrication process and after manufacturing of potential sites for stress induced void coalescence leading to crack initiation and subsequent failure.

  13. Multi-scale modeling of ductile failure in metallic alloys

    International Nuclear Information System (INIS)

    Pardoen, Th.; Scheyvaerts, F.; Simar, A.; Tekoglu, C.; Onck, P.R.

    2010-01-01

    Micro-mechanical models for ductile failure have been developed in the seventies and eighties essentially to address cracking in structural applications and complement the fracture mechanics approach. Later, this approach has become attractive for physical metallurgists interested by the prediction of failure during forming operations and as a guide for the design of more ductile and/or high-toughness microstructures. Nowadays, a realistic treatment of damage evolution in complex metallic microstructures is becoming feasible when sufficiently sophisticated constitutive laws are used within the context of a multilevel modelling strategy. The current understanding and the state of the art models for the nucleation, growth and coalescence of voids are reviewed with a focus on the underlying physics. Considerations are made about the introduction of the different length scales associated with the microstructure and damage process. Two applications of the methodology are then described to illustrate the potential of the current models. The first application concerns the competition between intergranular and transgranular ductile fracture in aluminum alloys involving soft precipitate free zones along the grain boundaries. The second application concerns the modeling of ductile failure in friction stir welded joints, a problem which also involves soft and hard zones, albeit at a larger scale. (authors)

  14. Corrosion resistance of metals and alloys in molten alkalies

    International Nuclear Information System (INIS)

    Zarubitskij, O.G.; Dmitruk, B.F.; Minets, L.A.

    1979-01-01

    Literature data on the corrosion of non-ferrous and noble metals, iron and steels in the molten alkalis and mixtures of their base are presented. It is shown that zirconium, niobium and tantalum are characterized by high corrosion stability in the molten NaOH. Additions of NaOH and KOH to the alkali chloride melts result in a 1000 time decrease of zirconium corrosion rate at 850 deg. The data testify to the characteristic passivating properties of OH - ions; Mo and W do not possess an ability to selfpassivation in hydroxide melts. Corrosion resistance of carbon and chromium-nickel steels in hydroxide melts depends considerably on the temperature, electrolyte composition and atmosphere over them. At the temperatures up to 600 deg C chromium-nickel steel is corrosion resistant in the molten alkali only in the inert atmosphere. Corrosion rate of chromium-nickel alloy is the lower the less chromium and the more nickel it contains. For the small installations the 4Kh18N25S2 and Kh23N28M3D3T steels can be recommended

  15. Multiscale modeling of ductile failure in metallic alloys

    Science.gov (United States)

    Pardoen, Thomas; Scheyvaerts, Florence; Simar, Aude; Tekoğlu, Cihan; Onck, Patrick R.

    2010-04-01

    Micromechanical models for ductile failure have been developed in the 1970s and 1980s essentially to address cracking in structural applications and complement the fracture mechanics approach. Later, this approach has become attractive for physical metallurgists interested by the prediction of failure during forming operations and as a guide for the design of more ductile and/or high-toughness microstructures. Nowadays, a realistic treatment of damage evolution in complex metallic microstructures is becoming feasible when sufficiently sophisticated constitutive laws are used within the context of a multilevel modelling strategy. The current understanding and the state of the art models for the nucleation, growth and coalescence of voids are reviewed with a focus on the underlying physics. Considerations are made about the introduction of the different length scales associated with the microstructure and damage process. Two applications of the methodology are then described to illustrate the potential of the current models. The first application concerns the competition between intergranular and transgranular ductile fracture in aluminum alloys involving soft precipitate free zones along the grain boundaries. The second application concerns the modeling of ductile failure in friction stir welded joints, a problem which also involves soft and hard zones, albeit at a larger scale.

  16. Impact of the De-Alloying Kinetics and Alloy Microstructure on the Final Morphology of De-Alloyed Meso-Porous Metal Films

    Directory of Open Access Journals (Sweden)

    Bao Lin

    2014-10-01

    Full Text Available Nano-textured porous metal materials present unique surface properties due to their enhanced surface energy with potential applications in sensing, molecular separation and catalysis. In this paper, commercial alloy foils, including brass (Cu85Zn15 and Cu70Zn30 and white gold (Au50Ag50 foils have been chemically de-alloyed to form nano-porous thin films. The impact of the initial alloy micro-structure and number of phases, as well as chemical de-alloying (DA parameters, including etchant concentration, time and solution temperature on the final nano-porous thin film morphology and properties were investigated by electron microscopy (EM. Furthermore, the penetration depth of the pores across the alloys were evaluated through the preparation of cross sections by focus ion beam (FIB milling. It is demonstrated that ordered pores ranging between 100 nm and 600 nm in diameter and 2–5 μm in depth can be successfully formed for the range of materials tested. The microstructure of the foils were obtained by electron back-scattered diffraction (EBSD and linked to development of pits across the material thickness and surface during DA. The role of selective etching of both noble and sacrificial metal phases of the alloy were discussed in light of the competitive surface etching across the range of microstructures and materials tested.

  17. Empirical prediction of optical transitions in metallic armchair SWCNTs

    Directory of Open Access Journals (Sweden)

    G. R. Ahmed Jamal

    2015-12-01

    Full Text Available In this work, a quick and effective method to calculate the second and third optical transition energies of metallic armchair single-wall carbon nanotubes (SWCNT is presented. In this proposed method, the transition energy of any armchair SWCNT can be predicted directly by knowing its one chiral index as both of its chiral indices are same. The predicted results are compared with recent experimental data and found to be accurate over a wide diameter range from 2 to 4.8 nm. The empirical equation proposed here is also compared with that proposed in earlier works. The proposed way may help the research works or applications where information of optical transitions of armchair metallic nanotubes is needed.

  18. Development of Mo base alloys for conductive metal-alumina cermet applications

    International Nuclear Information System (INIS)

    Stephens, J.J.; Damkroger, B.K.; Monroe, S.L.

    1996-01-01

    A study of thermal expansion for binary Mo-V and ternary Mo-V-Fe/Mo-V-Co alloys has been conducted, with the aim of finding a composition which matches the CTE of 94% alumina ceramic. The overall goal was to identify an alloy which can be used in conductive 27 vol.% metal/73 vol.% alumina cermets. Besides thermal expansion properties, two additional requirements exist for this alloy: (1) compatibility with a hydrogen sinter fire atmosphere and (2) a single phase BCC microstructure. They have identified a ternary alloy with a nominal composition of Mo-22wt.% V-3Fe for use in cermet fabrication efforts. This paper summarizes thermal expansion properties of the various alloys studied, and compares the results with previous CTE data for Mo-V binary alloys

  19. Computing elastic anisotropy to discover gum-metal-like structural alloys

    Science.gov (United States)

    Winter, I. S.; de Jong, M.; Asta, M.; Chrzan, D. C.

    2017-08-01

    The computer aided discovery of structural alloys is a burgeoning but still challenging area of research. A primary challenge in the field is to identify computable screening parameters that embody key structural alloy properties. Here, an elastic anisotropy parameter that captures a material's susceptibility to solute solution strengthening is identified. The parameter has many applications in the discovery and optimization of structural materials. As a first example, the parameter is used to identify alloys that might display the super elasticity, super strength, and high ductility of the class of TiNb alloys known as gum metals. In addition, it is noted that the parameter can be used to screen candidate alloys for shape memory response, and potentially aid in the optimization of the mechanical properties of high-entropy alloys.

  20. Development of high-capacity nickel-metal hydride batteries using superlattice hydrogen-absorbing alloys

    International Nuclear Information System (INIS)

    Yasuoka, Shigekazu; Magari, Yoshifumi; Murata, Tetsuyuki; Tanaka, Tadayoshi; Ishida, Jun; Nakamura, Hiroshi; Nohma, Toshiyuki; Kihara, Masaru; Baba, Yoshitaka; Teraoka, Hirohito

    2006-01-01

    New R-Mg-Ni (R: rare earths) superlattice alloys with higher-capacity and higher-durability than the conventional Mm-Ni alloys with CaCu 5 structure have been developed. The oxidation resistibility of the superlattice alloys has been improved by optimizing the alloy composition by such as substituting aluminum for nickel and optimizing the magnesium content in order to prolong the battery life. High-capacity nickel-metal hydride batteries for the retail market, the Ni-MH2500/900 series (AA size type 2500mAh, AAA size type 900mAh), have been developed and commercialized by using an improved superlattice alloy for negative electrode material. alized by using an improved superlattice alloy for negative electrode material. (author)

  1. Outstanding resistance and passivation behaviour of new Fe-Co metal-metal glassy alloys in alkaline media.

    Directory of Open Access Journals (Sweden)

    Khadijah M Emran

    Full Text Available The electrochemical behavior of the oxide layers on two metal-metal glassy alloys, Fe78Co9Cr10Mo2Al1 (VX9and Fe49Co49V2 (VX50 (at.%, were studied using electrochemical techniques including electrochemical frequency modulation (EFM, electrochemical impedance spectroscopy (EIS and cyclic polarization (CP measurements. The morphology and composition of the alloy surfaces were investigated using X-ray photoelectron spectroscopy (XPS, scanning electron microscopy (SEM and atomic force microscopy (AFM. The corrosion rate and surface roughness of both alloys increased as the concentration of NaOH in aqueous solution was raised. The presence of some protective elements in the composition of the alloys led to the formation of a spontaneous passive layer on the alloy surface. The higher resistance values of both alloys were associated with the magnitude of the dielectric properties of the passive films formed on their surfaces. Both alloys are classified as having outstanding resistance to corrosion, which results from the formation of a passive film that acts as an efficient barrier to corrosion in alkaline solution.

  2. Phase transitions and thermal expansion in Ni51- x Mn36 + x Sn13 alloys

    Science.gov (United States)

    Kaletina, Yu. V.; Gerasimov, E. G.; Kazantsev, V. A.; Kaletin, A. Yu.

    2017-10-01

    Thermal expansion and structural and magnetic phase transitions in alloys of the Ni-Mn-Sn system have been investigated. The spontaneous martensitic transformation in Ni51-xMn36 + xSn13 (0 ≤ x ≤ 3) alloys is found to be accompanied by high jumps in the temperature dependences of the linear thermal expansion. The relative change in the linear sizes of these alloys at the martensitic transformation is 1.5 × 10-3. There are no anomalies in the magnetic-ordering temperature range in the temperature dependences of the coefficient of linear thermal expansion. The differences in the behavior of linear thermal expansion at the martensitic transformation in Ni51-xMn36 + xSn13 (0 ≤ x ≤ 3) and Ni47Mn40Sn13( x = 4) alloys have been established.

  3. Weld metal grain refinement of aluminium alloy 5083 through controlled additions of Ti and B

    Energy Technology Data Exchange (ETDEWEB)

    Schempp, Philipp; Rethmeier, Michael [Federal Institute for Materials Research and Testing BAM, Berlin (Germany). Div. ' ' Safety of Joined Components' ' ; Fraunhofer Institute for Production Systems and Design Technology IPK, Berlin (Germany). Dept. ' ' Joining and Coating Technology' ' ; Schwenk, Christopher; Cross, Carl Edward [Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin (Germany)

    2011-07-01

    The refinement of the weld metal grain structure may lead to a significant change in its mechanical properties and in the weldability of the base metal. One possibility to achieve weld metal grain refinement is the inoculation of the weld pool. In this study, it is shown how additions of titanium and boron influence the weld metal grain structure of GTA welds of the aluminium alloy 5083 (Al Mg4.5Mn0.7). For this purpose, inserts consisting of base metal and additions of the master alloy Al Ti5B1 have been cast, deposited in the base metal and fused in a GTA welding process. The increase of the Ti and B content led to a significant decrease of the weld metal mean grain size and to a change in grain shape. The results provide a basis for a more precise definition of the chemical composition of commercial filler wires and rods for aluminium arc welding. (orig.)

  4. Gas atomization of Cu-modified AB5 metal hydride alloys

    International Nuclear Information System (INIS)

    Young, K.; Ouchi, T.; Banik, A.; Koch, J.; Fetcenko, M.A.; Bendersky, L.A.; Wang, K.; Vaudin, M.

    2011-01-01

    Research highlights: → The gas atomization process together with a hydrogen annealing process was demonstrated on AB5 alloys. → The method was found to be effective in restoring the original cycle life sacrificed by the incorporation of copper in the alloy formula as a means of improving the low temperature performance of AB 5 alloys. → The new process also improves high rate, low temperature, and charge retention performances for both Cu-free and Cu-containing AB 5 alloys. - Abstract: Gas atomization together with a hydrogen annealing process has been proposed as a method to achieve improved low-temperature performance of AB 5 alloy electrodes in Ni/MH batteries and restore the original cycle life which was sacrificed by the incorporation of copper in the alloy formula. While the gas atomization process reduces the lattice constant aspect ratio c/a of the Cu-containing alloys, the addition of a hydrogen annealing step recovers this property, although it is still inferior to the conventionally prepared annealed Cu-free alloy. This observation correlates very well with the cycle life performance. In addition to extending the cycle life of the Cu-containing metal hydride electrode, processing by gas atomization with additional hydrogen annealing improves high-rate, low-temperature, and charge retention performances for both Cu-free and Cu-containing AB 5 alloys. The degradation mechanisms of alloys made by different processes through cycling are also discussed.

  5. Influence of ejection temperature on structure and glass transition behavior for Zr-based rapidly quenched disordered alloys

    International Nuclear Information System (INIS)

    Wang, X.H.; Inoue, A.; Kong, F.L.; Zhu, S.L.; Stoica, M.; Kaban, I.; Chang, C.T.; Shalaan, E.; Al-Marzouki, F.; Eckert, J.

    2016-01-01

    We examined the influence of ejection liquid temperature (T el ) on the structure, thermal stability and crystallization of Zr−Al−Ni−Cu ribbons prepared by the melt-spinning technique. The increase in T el was found to cause the formation of an oxide phase on the ribbon surface, more loose atomic configurations, the absence of glass transition (GT) and supercooled liquid (SL) region, and the rise of crystallization temperature. The changes in the GT and SL region occur reversibly by controlling the T el . Neither the change in alloy composition except oxygen nor the difference in crystallized phases is seen. Their hardness increases significantly by the disappearance of GT and SL region. The reversible changes in the appearance and disappearance of GT and SL region was found for different Zr-based glassy ribbons, being independent of alloy compositions. The disappearance is presumably due to the change in atomic configurations from high-coordinated to less-coordinated atomic packing in the melt-spun ribbons by freezing high-temperature liquid. The observed phenomenon of the reversible changes provides a novel opportunity for deep understanding of mutual correlations among liquid structure, GT, stability of SL and bulk glass-forming ability for metallic alloys.

  6. Ab initio modelling of transition metals in diamond

    International Nuclear Information System (INIS)

    Watkins, M; Mainwood, A

    2003-01-01

    Transition metals (TM) from the first transition series are commonly used as solvent catalysts in the synthesis of diamond by high pressure, high temperature processes. Ab initio calculations on these metals, in finite clusters of tetrahedrally coordinated carbon, enable us to investigate trends in their stability and properties. By carrying out systematic studies of interstitial, substitutional and semi-vacancy TM defects, we show that the electronic structure of the TMs is complicated by the presence of 'dangling bonds' when the TM disrupts the crystal lattice: interstitial defects conform to the Ludwig-Woodbury (LW) model, whilst substitutional and semi-vacancy defects move from approximating the LW model early in the transition series to approaching the vacancy model for the heavier metals. Multi-configurational self-consistent field methods allow genuine many-electron states to be modelled; for neutral interstitial, and all substitutional TMs, the crystal fields are found to exceed the exchange energies in strength. Consequently, low spin states are found for these defects. We find substitutional defects to be the most stable, but that semi-vacancy TMs are very similar in energy to the substitutional defects late in the transition series; interstitial defects are only metastable in diamond. Given appropriate charge compensators neutral and positively charged interstitial TM defects were stable, while negatively charged species appeared to be strongly disfavoured

  7. Direct prediction of the solute softening-to-hardening transition in W–Re alloys using stochastic simulations of screw dislocation motion

    Science.gov (United States)

    Zhao, Yue; Marian, Jaime

    2018-06-01

    Interactions among dislocations and solute atoms are the basis of several important processes in metal plasticity. In body-centered cubic (bcc) metals and alloys, low-temperature plastic flow is controlled by screw dislocation glide, which is known to take place by the nucleation and sideward relaxation of kink pairs across two consecutive Peierls valleys. In alloys, dislocations and solutes affect each other’s kinetics via long-range stress field coupling and short-range inelastic interactions. It is known that in certain substitutional bcc alloys a transition from solute softening to solute hardening is observed at a critical concentration. In this paper, we develop a kinetic Monte Carlo model of screw dislocation glide and solute diffusion in substitutional W–Re alloys. We find that dislocation kinetics is governed by two competing mechanisms. At low solute concentrations, nucleation is enhanced by the softening of the Peierls stress, which dominates over the elastic repulsion of Re atoms on kinks. This trend is reversed at higher concentrations, resulting in a minimum in the flow stress that is concentration and temperature dependent. This minimum marks the transition from solute softening to hardening, which is found to be in reasonable agreement with experiments.

  8. Mechanical and electronic properties of Janus monolayer transition metal dichalcogenides

    Science.gov (United States)

    Shi, Wenwu; Wang, Zhiguo

    2018-05-01

    The mechanical and electronic properties of Janus monolayer transition metal dichalcogenides MXY (M  =  Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W; X/Y  =  S, Se, Te) were investigated using density functional theory. Results show that breaking the out-of-plane structural symmetry can be used to tune the electronic and mechanical behavior of monolayer transition metal dichalcogenides. The band gaps of monolayer WXY and MoXY are in the ranges of 0.16–1.91 and 0.94–1.69 eV, respectively. A semiconductor to metallic phase transition occurred in Janus monolayer MXY (M  =  Ti, Zr and Hf). The monolayers MXY (M  =  V, Nb, Ta and Cr) show metallic characteristics, which show no dependence on the structural symmetry breaking. The mechanical properties of MXY depended on the composition. Monolayer MXY (M  =  Mo, Ti, Zr, Hf and W) showed brittle characteristic, whereas monolayer CrXY and VXY are with ductile characteristic. The in-plane stiffness of pristine and Janus monolayer MXY are in the range between 22 and 158 N m‑1. The tunable electronic and mechanical properties of these 2D materials would advance the development of ultra-sensitive detectors, nanogenerators, low-power electronics, and energy harvesting and electromechanical systems.

  9. Development of half metallicity within mixed magnetic phase of Cu1‑x Co x MnSb alloy

    Science.gov (United States)

    Bandyopadhyay, Abhisek; Neogi, Swarup Kumar; Paul, Atanu; Meneghini, Carlo; Bandyopadhyay, Sudipta; Dasgupta, Indra; Ray, Sugata

    2018-05-01

    Cubic half-Heusler Cu1‑x Co x MnSb () compounds have been investigated both experimentally and theoretically for their magnetic, transport and electronic properties in search of possible half metallic antiferromagnetism. The systems (Cu,Co)MnSb are of particular interest as the end member alloys CuMnSb and CoMnSb are semi metallic (SM) antiferromagnetic (AFM) and half metallic (HM) ferromagnetic (FM), respectively. Clearly, Co-doping at the Cu-site of CuMnSb introduces changes in the carrier concentration at the Fermi level that may lead to half metallic ground state but there remains a persistent controversy whether the AFM to FM transition occurs simultaneously. Our experimental results reveal that the AFM to FM magnetic transition occurs through a percolation mechanism where Co-substitution gradually suppresses the AFM phase and forces FM polarization around every dopant cobalt. As a result a mixed magnetic phase is realized within this composition range while a nearly HM band structure is developed already at the 10% Co-doping. Absence of T 2 dependence in the resistivity variation at low T-region serves as an indirect proof of opening up an energy gap at the Fermi surface in one of the spin channels. This is further corroborated by the ab initio electronic structure calculations that suggests that a nearly ferromagnetic half-metallic ground state is stabilized by Sb-p holes produced upon Co doping.

  10. The thermodynamics of latent fingerprint corrosion of metal elements and alloys.

    Science.gov (United States)

    Bond, John W

    2008-11-01

    Redox reactions taking place between the surface of a metal and fingerprint residue have been expressed thermodynamically in terms of both the Nernst equation for reduction potential and the complexation constant for the formation of complex metal halide ions in aqueous solution. These expressions are used to explain experimental results for the corrosion of 10 different metal elements by fingerprint residue in air at room temperature. Corrosion of noble metals, such as silver and gold, supports the proposition that the degree of metal corrosion is enhanced by the presence of chloride ions in eccrine sweat. Extending the experiments to include 10 metal alloys enabled the construction of a fingerprint corrosion series for 20 different metals. Fingerprint corrosion on metals alloyed with > approximately 40% copper was found to display third level fingerprint detail. A comparison of both conventional ink on paper and digital (Livescan) fingerprinting techniques with fingerprints deposited on 9 Karat gold alloy has shown that gold alloy depositions are least susceptible to third level detail obliteration by poor fingerprint capturing techniques.

  11. Low-density to high-density transition in Ce{sub 75}Al{sub 23}Si{sub 2} metallic glass

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Q S; Lou, H B; Gong, Y; Wang, X D; Jiang, J Z [International Center for New-Structured Materials, Zhejiang University, Hangzhou 310027 (China); Fang, Y Z; Wu, F M [College of Mathematics, Physics and Information Engineering, Zhejiang Normal University, Jinhua 321004, Zhejiang (China); Yang, K; Li, A G; Yan, S; Yu, X H [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201203 (China); Lathe, C, E-mail: qiaoshizeng@gmail.co, E-mail: jiangjz@zju.edu.c [HASYLAB am DESY, Notkestrasse 85, Hamburg D-22603 (Germany)

    2010-09-22

    Using in situ high-pressure x-ray diffraction (XRD), we observed a pressure-induced polyamorphic transition from the low-density amorphous (LDA) state to the high-density amorphous (HDA) state in Ce{sub 75}Al{sub 23}Si{sub 2} metallic glass at about 2 GPa and 300 K. The thermal stabilities of both LDA and HDA metallic glasses were further investigated using in situ high-temperature and high-pressure XRD, which revealed different pressure dependences of the onset crystallization temperature (T{sub x}) between them with a turning point at about 2 GPa. Compared with Ce{sub 75}Al{sub 25} metallic glass, minor Si doping shifts the onset polyamorphic transition pressure from 1.5 to 2 GPa and obviously stabilizes both LDA and HDA metallic glasses with higher T{sub x} and changes their slopes dT{sub x}/dP. The results obtained in this work reveal another polyamorphous metallic glass system by minor alloying (e.g. Si), which could modify the transition pressure and also properties of LDA and HDA metallic glasses. The minor alloying effect reported here is valuable for the development of more polyamorphous metallic glasses, even multicomponent bulk metallic glasses with modified properties, which will trigger more investigations in this field and improve our understanding of polyamorphism and metallic glasses.

  12. Nano-structureal and nano-chemical analysis of Ni-based alloy/low alloy steel dissimilar metal weld interfaces

    International Nuclear Information System (INIS)

    Choi, Kyoung Joon; Shin, Sang Hun; Kim, Jong Jin; Jung, Ju Ang; Kim, Ji Hyun

    2012-01-01

    The dissimilar metal joints welded between Ni-based alloy, Alloy 690 and low alloy steel, A533 Gr. B with Alloy 152 filler metal were characterized by using optical microscope, scanning electron microscope, transmission electron microscope, secondary ion mass spectrometry and 3-dimensional atom probe tomography. It was found that in the weld root region, the weld was divided into several regions including unmixed zone in Ni-base alloy, fusion boundary, and heat-affected zone in the low alloy steel. The result of nanostructural and nanochemical analyses in this study showed the non-homogeneous distribution of elements with higher Fe but lower Mn, Ni and Cr in A533 Gr. B compared with Alloy 152, and the precipitation of carbides near the fusion boundary.

  13. Nano-structureal and nano-chemical analysis of Ni-based alloy/low alloy steel dissimilar metal weld interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Kyoung Joon; Shin, Sang Hun; Kim, Jong Jin; Jung, Ju Ang; Kim, Ji Hyun [Interdisciplinary School of Green Energy, Ulsan National Institute of Science and Technology (UNIST), Ulsan (Korea, Republic of)

    2012-06-15

    The dissimilar metal joints welded between Ni-based alloy, Alloy 690 and low alloy steel, A533 Gr. B with Alloy 152 filler metal were characterized by using optical microscope, scanning electron microscope, transmission electron microscope, secondary ion mass spectrometry and 3-dimensional atom probe tomography. It was found that in the weld root region, the weld was divided into several regions including unmixed zone in Ni-base alloy, fusion boundary, and heat-affected zone in the low alloy steel. The result of nanostructural and nanochemical analyses in this study showed the non-homogeneous distribution of elements with higher Fe but lower Mn, Ni and Cr in A533 Gr. B compared with Alloy 152, and the precipitation of carbides near the fusion boundary.

  14. Hot carrier dynamics in plasmonic transition metal nitrides

    Science.gov (United States)

    Habib, Adela; Florio, Fred; Sundararaman, Ravishankar

    2018-06-01

    Extraction of non-equilibrium hot carriers generated by plasmon decay in metallic nano-structures is an increasingly exciting prospect for utilizing plasmonic losses, but the search for optimum plasmonic materials with long-lived carriers is ongoing. Transition metal nitrides are an exciting class of new plasmonic materials with superior thermal and mechanical properties compared to conventional noble metals, but their suitability for plasmonic hot carrier applications remains unknown. Here, we present fully first principles calculations of the plasmonic response, hot carrier generation and subsequent thermalization of all group IV, V and VI transition metal nitrides, fully accounting for direct and phonon-assisted transitions as well as electron–electron and electron–phonon scattering. We find the largest frequency ranges for plasmonic response in ZrN, HfN and WN, between those of gold and silver, while we predict strongest absorption in the visible spectrum for the VN, NbN and TaN. Hot carrier generation is dominated by direct transitions for most of the relevant energy range in all these nitrides, while phonon-assisted processes dominate only below 1 eV plasmon energies primarily for the group IV nitrides. Finally, we predict the maximum hot carrier lifetimes to be around 10 fs for group IV and VI nitrides, a factor of 3–4 smaller than noble metals, due to strong electron–phonon scattering. However, we find longer carrier lifetimes for group V nitrides, comparable to silver for NbN and TaN, while exceeding 100 fs (twice that of silver) for VN, making them promising candidates for efficient hot carrier extraction.

  15. Wear resistance of layers hard faced by the high-alloyed filler metal

    OpenAIRE

    Dušan Arsić; Vukić Lazić; Ruzica R. Nikolic; Milan Mutavdžić; Srbislav Aleksandrović; Milan Djordjević

    2016-01-01

    The objective of this work was to determine the wear resistance of layers hard faced by the high-alloyed filler metal, with or without the austenite inter-layer, on parts that operate at different sliding speeds in conditions without lubrication. The samples were hard faced with the filler metal E 10-UM-60-C with high content of C, Cr and W. Used filler metal belongs into group of alloys aimed for reparatory hard facing of parts damaged by abrasive and erosive wear and it is characterized by ...

  16. The Importance of Rare-Earth Additions in Zr-Based AB2 Metal Hydride Alloys

    Directory of Open Access Journals (Sweden)

    Kwo-Hsiung Young

    2016-07-01

    Full Text Available Effects of substitutions of rare earth (RE elements (Y, La, Ce, and Nd to the Zr-based AB2 multi-phase metal hydride (MH alloys on the structure, gaseous phase hydrogen storage (H-storage, and electrochemical properties were studied and compared. Solubilities of the RE atoms in the main Laves phases (C14 and C15 are very low, and therefore the main contributions of the RE additives are through the formation of the RENi phase and change in TiNi phase abundance. Both the RENi and TiNi phases are found to facilitate the bulk diffusion of hydrogen but impede the surface reaction. The former is very effective in improving the activation behaviors. −40 °C performances of the Ce-doped alloys are slightly better than the Nd-doped alloys but not as good as those of the La-doped alloys, which gained the improvement through a different mechanism. While the improvement in ultra-low-temperature performance of the Ce-containing alloys can be associated with a larger amount of metallic Ni-clusters embedded in the surface oxide, the improvement in the La-containing alloys originates from the clean alloy/oxide interface as shown in an earlier transmission electron microscopy study. Overall, the substitution of 1 at% Ce to partially replace Zr gives the best electrochemical performances (capacity, rate, and activation and is recommended for all the AB2 MH alloys for electrochemical applications.

  17. An Investigation on Metallic Ion Release from Four Dental Casting Alloys

    Directory of Open Access Journals (Sweden)

    F. Nejatidanesh

    2005-12-01

    Full Text Available Statement of Problem: Element release from dental casting alloys into the oral environment is of clinical concern and is considered to be a potential health problem to all patients.Purpose: The aim of this study was to investigate the metallic ion release of four base metal alloys.Materials and Methods: Two Ni-Cr (Minalux and Supercast and two Co-Cr alloys (Minalia and Wironit were examined. Nine specimens of each type were prepared in 13×11×1.4 mm dimensions and each of the four alloys (3 specimens per group were conditioned in artificial saliva at 37 c for one, three and seven days.The conditioning media were analyzed for element-release using Inductive CoupledPlasma Atomic Emission Spectrophotometer (ICPAES. Collected data were statistically analyzed using ANOVA and Duncan multiple range test (P< 0.05.Results: The greatest amount of element release was seen after seven days (134.9 ppb Supercast, 159.2 ppb Minalux, 197.2 ppb Minalia, and 230.2 ppb Wironit. There was a significant difference between the released elements from the alloys after the three conditioning times (p<0.001.Conclusion: Element release from the studied alloys is proportional to the conditioning time. The Ni-Cr alloys tested in this investigation were more resistant to corrosion as compared to the Co-Cr alloys in artificial saliva. Supercast had the highest corrosion resistance.

  18. Characterization of a Fe-based alloy system for an AFCI metallic waste form - 16134

    International Nuclear Information System (INIS)

    Williamson, Mark J.; Sindelar, Robert L.

    2009-01-01

    The AFCI waste management program aims to provide a minimum volume stable waste form for high level radioactive waste from the various process streams. The AFCI Integrated Waste Management Strategy document has identified a Fe-Zr metallic waste form (MWF) as the baseline alloy for disposal of Tc metal, undissolved solids, and TRUEX fission product wastes. Several candidate alloys have been fabricated using vacuum induction melting to investigate the limits of waste loading as a function of Fe and Zr content. Additional melts have been produced to investigate source material composition. These alloys have been characterized using SEM/EDS and XRD. Phase assemblage and specie partitioning of Re metal (surrogate for Tc) and noble metal FP elements into the phases is reported. (authors)

  19. Thermal properties of zirconium diboride -- transition metal boride solid solutions

    Science.gov (United States)

    McClane, Devon Lee

    This research focuses on the thermal properties of zirconium diboride (ZrB2) based ceramics. The overall goal was to improve the understanding of how different transition metal (TM) additives influence thermal transport in ZrB2. To achieve this, ZrB2 with 0.5 wt% carbon, and 3 mol% of individual transition metal borides, was densified by hot-press sintering. The transition metals that were investigated were: Y, Ti, Hf, V, Nb, Ta, Cr, Mo, W, and Re. The room temperature thermal diffusivities of the compositions ranged from 0.331 cm2/s for nominally pure ZrB2 to 0.105 cm2/s for (Zr,Cr)B2 and converged around 0.155cm2/s at higher temperatures for all compositions. Thermal conductivities were calculated from the diffusivities, using temperature-dependent values for density and heat capacity. The electron contribution to thermal conductivity was calculated from measured electrical resistivity according to the Wiedemann-Franz law. The phonon contribution to thermal conductivity was calculated by subtracting the electron contribution from the total thermal conductivity. Rietveld refinement of x-ray diffraction data was used to determine the lattice parameters of the compositions. The decrease in thermal conductivity for individual additives correlated directly to the metallic radius of the additive. Additional strain appeared to exist for additives when the stable TM boride for that metal had different crystal symmetries than ZrB2. This research provided insight into how additives and impurities affect thermal transport in ZrB2. The research potentially offers a basis for future modeling of thermal conductivity in ultra-high temperature ceramics based on the correlation between metallic radius and the decrease in thermal conductivity.

  20. Photoemission from valence bands of transition metal-phthalocyanines

    International Nuclear Information System (INIS)

    Shang, Ming-Hui; Nagaosa, Mayumi; Nagamatsu, Shin-ichi; Hosoumi, Shunsuke; Kera, Satoshi; Fujikawa, Takashi; Ueno, Nobuo

    2011-01-01

    Research highlights: → The HOMO mainly comes from the carbon atoms of Pc rings and the central metal atoms almost have no contribution on the highest occupied molecular orbital (HOMO: a 1u ) distribution of CoPc as well as NiPc. → Influence by central metal atom on the photoemission intensities from the HOMO of two single molecule systems is negligible for the major. → The modification of the distribution for π-orbital upon adsorption as well as the scattering effects of the central metal on the photoemission intensities are negligible for the major. - Abstract: Angular dependencies of ultraviolet photoelectron spectrum of transition metal-phthalocyanines (TM-Pcs), NiPc and CoPc, have been studied by using multiple-scattering theory to explore the electronic structure of the organometallic complexes influenced by central metal atom. The calculated angular distributions of photoelectrons for the highest occupied molecular orbital (HOMO: a 1u ) from the two single systems are nearly the same and represent well the experimental results obtained for the well-ordered monolayer on the highly oriented pyrolytic graphite substrate. The central metal atoms almost have no contribution on the HOMO distribution, which mainly comes from the carbon atoms of Pc ring. Moreover, the modification of the distribution for π orbital upon adsorption as well as the scattering effects of the central metal on the photoemission intensities are negligible for the major.

  1. Development of shear bands in amorphous-crystalline metallic alloys

    International Nuclear Information System (INIS)

    Pozdnyakov, V.A.

    2004-01-01

    A theoretical study is made into conditions of shear band evolution in amorphous-crystalline alloys with various morphological types of structural constituents. The condition of shear band evolution in thin amorphous alloys in the interior of the crystalline matrix is obtained. It is shown that a scale effect exists which manifests itself in suppression of the process of localized plastic flow with amorphous alloy thickness decreasing down to the limit. The analysis of the condition for shear band evolution in an amorphous alloy with nanocrystalline inclusions is accomplished. The relationship of a critical stress of shear band evolution to a volume fraction of disperse crystal inclusions is obtained. A consideration is also given to the evolution of shear bands in the material containing amorphous and crystalline areas of micro meter size. For the alloy with the structure of this type conditions for propagation of localized flows by a relay race type mechanism are determined [ru

  2. Electroforming and Switching in Oxides of Transition Metals: The Role of Metal Insulator Transition in the Switching Mechanism

    Science.gov (United States)

    Chudnovskii, F. A.; Odynets, L. L.; Pergament, A. L.; Stefanovich, G. B.

    1996-02-01

    Electroforming and switching effects in sandwich structures based on anodic films of transition metal oxides (V, Nb, Ti, Fe, Ta, W, Zr, Hf, Mo) have been studied. After being electroformed, some materials exhibited current-controlled negative resistance with S-shapedV-Icharacteristics. For V, Fe, Ti, and Nb oxides, the temperature dependences of the threshold voltage have been measured. As the temperature increased,Vthdecreased to zero at a critical temperatureT0, which depended on the film material. Comparison of theT0values with the temperatures of metal-insulator phase transition for some compounds (Tt= 120 K for Fe3O4, 340 K for VO2, ∼500 K for Ti2O3, and 1070 K for NbO2) showed that switching was related to the transition in the applied electric field. Channels consisting of the above-mentioned lower oxides were formed in the initial anodic films during the electroforming. The possibility of formation of these oxides with a metal-insulator transition was confirmed by thermodynamic calculations.

  3. The effect of transition metals additions on the temperature coefficient of linear expansion of titanium and vanadium

    International Nuclear Information System (INIS)

    Lesnaya, M.I.; Volokitin, G.G.; Kashchuk, V.A.

    1976-01-01

    Results are reported of an experimental research into the influence of small additions of α-transition metals on the temperature coefficient of linear expansion of titanium and vanadium. Using the configuration model of substance as the basis, expeained are the lowering of the critical liquefaction temperature or the melting point of vanadium and the raising of it, as caused by the addition of metals of the 6 group of the periodic chart and by the addition of metals of the 8 group, respectively, and also a shift in the temperature of the polymorphic α-β-transformation of titanium. Suggested as the best alloying metal for vanadium are tungsten and tantalum; for titaniums is vanadium whose admixtures lower the melting point and shift the polymorphic transformation temperature by as much as 100 to 120 degrees

  4. Transition from a strong-yet-brittle to a stronger-and-ductile state by size reduction of metallic glasses.

    Science.gov (United States)

    Jang, Dongchan; Greer, Julia R

    2010-03-01

    Amorphous metallic alloys, or metallic glasses, are lucrative engineering materials owing to their superior mechanical properties such as high strength and large elastic strain. However, their main drawback is their propensity for highly catastrophic failure through rapid shear banding, significantly undercutting their structural applications. Here, we show that when reduced to 100 nm, Zr-based metallic glass nanopillars attain ceramic-like strengths (2.25 GPa) and metal-like ductility (25%) simultaneously. We report separate and distinct critical sizes for maximum strength and for the brittle-to-ductile transition, thereby demonstrating that strength and ability to carry plasticity are decoupled at the nanoscale. A phenomenological model for size dependence and brittle-to-homogeneous deformation is provided.

  5. Control of interlayer physics in 2H transition metal dichalcogenides

    Science.gov (United States)

    Wang, Kuang-Chung; Stanev, Teodor K.; Valencia, Daniel; Charles, James; Henning, Alex; Sangwan, Vinod K.; Lahiri, Aritra; Mejia, Daniel; Sarangapani, Prasad; Povolotskyi, Michael; Afzalian, Aryan; Maassen, Jesse; Klimeck, Gerhard; Hersam, Mark C.; Lauhon, Lincoln J.; Stern, Nathaniel P.; Kubis, Tillmann

    2017-12-01

    It is assessed in detail both experimentally and theoretically how the interlayer coupling of transition metal dichalcogenides controls the electronic properties of the respective devices. Gated transition metal dichalcogenide structures show electrons and holes to either localize in individual monolayers, or delocalize beyond multiple layers—depending on the balance between spin-orbit interaction and interlayer hopping. This balance depends on the layer thickness, momentum space symmetry points, and applied gate fields. The design range of this balance, the effective Fermi levels, and all relevant effective masses is analyzed in great detail. A good quantitative agreement of predictions and measurements of the quantum confined Stark effect in gated MoS2 systems unveils intralayer excitons as the major source for the observed photoluminescence.

  6. Conductive transition metal oxide nanostructured electrochromic material and optical switching devices constructed thereof

    Science.gov (United States)

    Mattox, Tracy M.; Koo, Bonil; Garcia, Guillermo; Milliron, Delia J.; Trizio, Luca De; Dahlman, Clayton

    2017-10-10

    An electrochromic device includes a nanostructured transition metal oxide bronze layer that includes one or more transition metal oxide and one or more dopant, a solid state electrolyte, and a counter electrode. The nanostructured transition metal oxide bronze selectively modulates transmittance of near-infrared (NIR) spectrum and visible spectrum radiation as a function of an applied voltage to the device.

  7. The 1s x-ray absorption pre-edge structures in transition metal oxides

    NARCIS (Netherlands)

    de Groot, Frank|info:eu-repo/dai/nl/08747610X; Vanko, Gyoergy; Glatzel, Pieter

    2009-01-01

    We develop a general procedure to analyse the pre-edges in 1s x-ray absorption near edge structure (XANES) of transition metal oxides and coordination complexes. Transition metal coordination complexes can be described from a local model with one metal ion. The 1s 3d quadrupole transitions are

  8. Peruvian perovskite Between Transition-metal to PGM/PlatinumGroupMetal Catalytic Fusion

    Science.gov (United States)

    Maksoed, Wh-

    2016-11-01

    Strongly correlated electronic materials made of simple building blocks, such as a transition-metal ion in an octahedral oxygen cage forming a perovskite structure- Dagotto & Tokura for examples are the high-temperature superconductivity & the CMR/Colossal Magnetoresistance . Helium-4 denotes from LC Case,ScD: "Catalytic Fusion of Deuterium into Helium-4"- 1998 dealt with gaseous D2- "contacted with a supported metallic catalyst at superatmospheric pressure". The catalyst is a platinum-group metal, at about 0.5% - 1% by weight, on activated C. Accompanies Stephen J Geier, 2010 quotes "transition metal complexes", the Energy thus produced is enormous, and because the deuterium is very cheap in the form of heavy water (less than US 1/g), the fuel cost is very low (seas &Deuteronomy to be eternally preserves. Heartfelt Gratitudes to HE. Mr. Prof. Ir. HANDOJO.

  9. Liquid state properties of certain noble and transition metals

    International Nuclear Information System (INIS)

    Bhuiyan, G.M.; Rahman, A.; Khaleque, M.A.; Rashid, R.I.M.A.; Mujibur Rahman, S.M.

    1998-07-01

    Certain structural, thermodynamic and atomic transport properties of a number of liquid noble and transition metals are reported. The underlying theory combines together a simple form of the N-body potential and the thermodynamically self-consistent variational modified hypernetted chain (VMHNC) theory of liquid. The static structure factors calculated by using the VMHNC resemble the hard sphere (HS) values. Consequently the HS model is used to calculate the thermodynamic properties viz. specific heat, entropy, isothermal compressibility and atomic transport properties. (author)

  10. The dynamic behavior of the exohedral transition metal complexes ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 129; Issue 7. The dynamic behavior of the exohedral transition metal complexes of B₄₀ : η⁶- and η⁷-B₄₀Cr(CO) ₃ and Cr(CO) ₃η⁷-B₄η₀-Cr(CO) ₃. NAIWRIT KARMODAK ELUVATHINGAL D JEMMIS. REGULAR ARTICLE Volume 129 Issue 7 July 2017 pp ...

  11. Organometallic compounds of the lanthanides, actinides and early transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Cardin, D J [Trinity Coll., Dublin (Ireland); Cotton, S A [Stanground School, Peterborough (UK); Green, M [Bristol Univ. (UK); Labinger, J A [Atlantic Richfield Co., Los Angeles, CA (USA); eds.

    1985-01-01

    This book provides a reference compilation of physical and biographical data on over 1500 of the most important and useful organometallic compounds of the lanthanides, actinides and early transition metals representing 38 different elements. The compounds are listed in molecular formula order in a series of entries in dictionary format. Details of structure, physical and chemical properties, reactions and key references are clearly set out. All the data is fully indexed and a structural index is provided.

  12. Immobilization of transition metal ions on zirconium phosphate monolayers

    International Nuclear Information System (INIS)

    Melezhik, A.V.; Brej, V.V.

    1998-01-01

    It is shown that ions of transition metals (copper, iron, vanadyl, titanium) are adsorbed on zirconium phosphate monolayers. The zirconium phosphate threshold capacity corresponds to substitution of all protons of hydroxyphosphate groups by equivalent amounts of copper, iron or vanadyl. Adsorption of polynuclear ions is possible in case of titanium. The layered substance with specific surface up to 300 m 2 /g, wherein ultradispersed titanium dioxide particles are intercalirated between zirconium-phosphate layers, is synthesized

  13. Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces

    DEFF Research Database (Denmark)

    Tritsaris, G. A.; Rossmeisl, J.

    2012-01-01

    Direct methanol fuel cells are a key enabling technology for clean energy conversion. Using density functional theory calculations, we study the methanol oxidation reaction on model electrodes. We discuss trends in reactivity for a set of monometallic and bimetallic transition metal surfaces, flat...... sites on the surface and to screen for novel bimetallic surfaces of enhanced activity. We suggest platinum copper surfaces as promising anode catalysts for direct methanol fuel cells....

  14. Solid - solid and solid - liquid phase transitions of iron and iron alloys under laser shock compression

    Science.gov (United States)

    Harmand, M.; Krygier, A.; Appel, K.; Galtier, E.; Hartley, N.; Konopkova, Z.; Lee, H. J.; McBride, E. E.; Miyanishi, K.; Nagler, B.; Nemausat, R.; Vinci, T.; Zhu, D.; Ozaki, N.; Fiquet, G.

    2017-12-01

    An accurate knowledge of the properties of iron and iron alloys at high pressures and temperatures is crucial for understanding and modelling planetary interiors. While Earth-size and Super-Earth Exoplanets are being discovered in increasingly large numbers, access to detailed information on liquid properties, melting curves and even solid phases of iron and iron at the pressures and temperatures of their interiors is still strongly limited. In this context, XFEL sources coupled with high-energy lasers afford unique opportunities to measure microscopic structural properties at far extreme conditions. Also the achievable time resolution allows the shock history and phase transition mechanisms to be followed during laser compression, improving our understanding of the high pressure and high strain experiments. Here we present recent studies devoted to investigate the solid-solid and solid-liquid transition in laser-shocked iron and iron alloys (Fe-Si, Fe-C and Fe-O alloys) using X-ray diffraction and X-ray diffuse scattering. Experiment were performed at the MEC end-station of the LCLS facility at SLAC (USA). Detection of the diffuse scattering allowed the identification of the first liquid peak position along the Hugoniot, up to 4 Mbar. The time resolution shows ultrafast (between several tens and several hundreds of picoseconds) solid-solid and solid-liquid phase transitions. Future developments at XFEL facilities will enable detailed studies of the solid and liquid structures of iron and iron alloys as well as out-of-Hugoniot studies.

  15. Study of the embedded atom method of atomistic calculations for metals and alloys

    International Nuclear Information System (INIS)

    Johnson, R.A.

    1990-10-01

    Two projects were completed in the past year. The stability of a series of binary alloys was calculated using the embedded-atom method (EAM) with an analytic form for two-body potentials derived previously. Both disordered alloys and intermetallic compounds with the L1 0 and L1 2 structures were studied. The calculated heats of solution of alloys of Cu, Ag, Au, Ni, and Pt were satisfactory, while results for alloys containing Pd were too high. Atomistic calculations using the EAM were also carried out for point defects in hcp metals. By comparison with results in the literature, it was found that many body effects from the EAM significantly alter predicted physical properties of hcp metals. For example, the EAM calculations yield anisotropic vacancy diffusion with greater vacancy mobility in the basal plane, and imply that diffusion will start at a lower fraction of the melting temperature

  16. Relationship between Microstructure and Ductility Dip Cracking resistance of Alloy 600/690 weld metals

    Energy Technology Data Exchange (ETDEWEB)

    Ryu, Jae Yong; Lee, Chang Hee [Hanyang University, Seoul (Korea, Republic of); Kim, Min Chul; Lee, Ho Jin; Kim, Keoung Ho [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Park, Kwang Soo; Shim, Deog Nam [Doosan HEAVY Industries and Construction, Seoul (Korea, Republic of)

    2009-10-15

    Ni-Cr-Fe alloys are used extensively in nuclear power systems for their resistance to general corrosion, localized corrosion, and environmentally assisted cracking. However, concerns with stress corrosion cracking of moderate chromium (14.22 wt-%) alloys such as Alloy 600 and its filler metals(FMs) (E-182 and EN82) have driven the application of higher chromium (28.30 wt-%) alloys like Alloy 690. While Alloy 690 and its FMs show outstanding resistance to environmentally assisted cracking in most water-reactor environments, these alloys are prone to welding defects, most notably to ductility dip cracking(DDC). The DDC occurs at temperatures between 0.5 and 0.8 of their melting temperature. This ductility drop may result in intergranular elevated temperature cracking often referred to as DDC. The DDC may occur during the high temperature processing of these alloys or during welding if the imposed strain exhausts the available ductility within this temperature range. Several alloy systems including Ni-base alloys, Ni.Cu alloys, Cu alloys, stainless steels and steels, have been reported to be susceptible to DDC. A complete understanding of the DDC mechanism does not exist, which makes DDC control in actual production conditions a very difficult task. In this study, the DDC resistance was evaluated with different FMs which have different chemical composition. The microstructural features of FMs such as precipitation behavior and grain boundaries morphology were observed, and it were correlated with the DDC susceptibility. The hot ductility test and strainto- fracture test was used to evaluate the DDC susceptibility at high temperature.

  17. Relationship between Microstructure and Ductility Dip Cracking resistance of Alloy 600/690 weld metals

    International Nuclear Information System (INIS)

    Ryu, Jae Yong; Lee, Chang Hee; Kim, Min Chul; Lee, Ho Jin; Kim, Keoung Ho; Park, Kwang Soo; Shim, Deog Nam

    2009-01-01

    Ni-Cr-Fe alloys are used extensively in nuclear power systems for their resistance to general corrosion, localized corrosion, and environmentally assisted cracking. However, concerns with stress corrosion cracking of moderate chromium (14.22 wt-%) alloys such as Alloy 600 and its filler metals(FMs) (E-182 and EN82) have driven the application of higher chromium (28.30 wt-%) alloys like Alloy 690. While Alloy 690 and its FMs show outstanding resistance to environmentally assisted cracking in most water-reactor environments, these alloys are prone to welding defects, most notably to ductility dip cracking(DDC). The DDC occurs at temperatures between 0.5 and 0.8 of their melting temperature. This ductility drop may result in intergranular elevated temperature cracking often referred to as DDC. The DDC may occur during the high temperature processing of these alloys or during welding if the imposed strain exhausts the available ductility within this temperature range. Several alloy systems including Ni-base alloys, Ni.Cu alloys, Cu alloys, stainless steels and steels, have been reported to be susceptible to DDC. A complete understanding of the DDC mechanism does not exist, which makes DDC control in actual production conditions a very difficult task. In this study, the DDC resistance was evaluated with different FMs which have different chemical composition. The microstructural features of FMs such as precipitation behavior and grain boundaries morphology were observed, and it were correlated with the DDC susceptibility. The hot ductility test and strainto- fracture test was used to evaluate the DDC susceptibility at high temperature

  18. Hydrogen and dihydrogen bonding of transition metal hydrides

    International Nuclear Information System (INIS)

    Jacobsen, Heiko

    2008-01-01

    Intermolecular interactions between a prototypical transition metal hydride WH(CO) 2 NO(PH 3 ) 2 and a small proton donor H 2 O have been studied using DFT methodology. The hydride, nitrosyl and carbonyl ligand have been considered as site of protonation. Further, DFT-D calculations in which empirical corrections for the dispersion energy are included, have been carried out. A variety of pure and hybrid density functionals (BP86, PW91, PBE, BLYP, OLYP, B3LYP, B1PW91, PBE0, X3LYP) have been considered, and our calculations indicate the PBE functional and its hybrid variation are well suited for the calculation of transition metal hydride hydrogen and dihydrogen bonding. Dispersive interactions make up for a sizeable portion of the intermolecular interaction, and amount to 20-30% of the bond energy and to 30-40% of the bond enthalpy. An energy decomposition analysis reveals that the H...H bond of transition metal hydrides contains both covalent and electrostatic contributions

  19. Hydrogen and dihydrogen bonding of transition metal hydrides

    Science.gov (United States)

    Jacobsen, Heiko

    2008-04-01

    Intermolecular interactions between a prototypical transition metal hydride WH(CO) 2NO(PH 3) 2 and a small proton donor H 2O have been studied using DFT methodology. The hydride, nitrosyl and carbonyl ligand have been considered as site of protonation. Further, DFT-D calculations in which empirical corrections for the dispersion energy are included, have been carried out. A variety of pure and hybrid density functionals (BP86, PW91, PBE, BLYP, OLYP, B3LYP, B1PW91, PBE0, X3LYP) have been considered, and our calculations indicate the PBE functional and its hybrid variation are well suited for the calculation of transition metal hydride hydrogen and dihydrogen bonding. Dispersive interactions make up for a sizeable portion of the intermolecular interaction, and amount to 20-30% of the bond energy and to 30-40% of the bond enthalpy. An energy decomposition analysis reveals that the H⋯H bond of transition metal hydrides contains both covalent and electrostatic contributions.

  20. Hydrogen and dihydrogen bonding of transition metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Jacobsen, Heiko [KemKom, Libellenweg 2, 25917 Leck, Nordfriesland (Germany)], E-mail: jacobsen@kemkom.com

    2008-04-03

    Intermolecular interactions between a prototypical transition metal hydride WH(CO){sub 2}NO(PH{sub 3}){sub 2} and a small proton donor H{sub 2}O have been studied using DFT methodology. The hydride, nitrosyl and carbonyl ligand have been considered as site of protonation. Further, DFT-D calculations in which empirical corrections for the dispersion energy are included, have been carried out. A variety of pure and hybrid density functionals (BP86, PW91, PBE, BLYP, OLYP, B3LYP, B1PW91, PBE0, X3LYP) have been considered, and our calculations indicate the PBE functional and its hybrid variation are well suited for the calculation of transition metal hydride hydrogen and dihydrogen bonding. Dispersive interactions make up for a sizeable portion of the intermolecular interaction, and amount to 20-30% of the bond energy and to 30-40% of the bond enthalpy. An energy decomposition analysis reveals that the H...H bond of transition metal hydrides contains both covalent and electrostatic contributions.

  1. Transition-metal impurities in semiconductors and heterojunction band lineups

    Science.gov (United States)

    Langer, Jerzy M.; Delerue, C.; Lannoo, M.; Heinrich, Helmut

    1988-10-01

    The validity of a recent proposal that transition-metal impurity levels in semiconductors may serve as a reference in band alignment in semiconductor heterojunctions is positively verified by using the most recent data on band offsets in the following lattice-matched heterojunctions: Ga1-xAlxAs/GaAs, In1-xGaxAsyP1-y/InP, In1-xGaxP/GaAs, and Cd1-xHgxTe/CdTe. The alignment procedure is justified theoretically by showing that transition-metal energy levels are effectively pinned to the average dangling-bond energy level, which serves as the reference level for the heterojunction band alignment. Experimental and theoretical arguments showing that an increasingly popular notion on transition-metal energy-level pinning to the vacuum level is unjustified and must be abandoned in favor of the internal-reference rule proposed recently [J. M. Langer and H. Heinrich, Phys. Rev. Lett. 55, 1414 (1985)] are presented.

  2. Functionalization of 2D transition metal dichalcogenides for biomedical applications

    International Nuclear Information System (INIS)

    Li, Zibiao; Wong, Swee Liang

    2017-01-01

    Recent research has revealed a gamut of interesting properties present in layered two-dimensional (2D) transition metal dichalcogenides (TMDCs) such as photoluminescence, comparatively high electron mobility, flexibility, mechanical strength and relatively low toxicity. The large surface to area ratio inherent in these materials also allows easy functionalization and maximal interaction with the external environment. Due to its unique physical and chemical properties, much work has been done in tailoring TMDCs through chemical functionalization for use in a diverse range of biomedical applications as biosensors, drug delivery carriers or even as therapeutic agents. In this review, current progress on the different types of TMDC functionalization for various biological applications will be presented and its future outlook will be discussed. - Highlights: • The different functionalization strategies and approaches of transition metal dichalcogenides are reviewed. • Properties of transition metal dichalcogenides useful for biomedical usage and their methods of synthesis are introduced. • Functionalization approaches are presented according to material type and their different application purpose is discussed.

  3. Comparison of laboratory and field experience of PWSCC in Alloy 182 weld metal

    Energy Technology Data Exchange (ETDEWEB)

    Scott, P.; Meunier, M.-C.; Steltzlen, F. [AREVA NP, Tour AREVA, Paris La Defense (France); Calonne, O.; Foucault, M. [AREVA NP, Centre Technique, Le Creusot Cedex (France); Combrade, P. [ACXCOR, Saint Etienne (France); Amzallag, C. [EDF, SEPTEN, Villeurbanne (France)

    2007-07-01

    Laboratory studies of stress corrosion cracking of the nickel base weld metal, Alloy 182, in simulated PWR primary water suggest similar resistance to crack initiation and somewhat enhanced propagation rates relative to wrought Alloy 600. By contrast, field experience of cracking in the primary circuits of PWRs shows in general much better performance for Alloy 182 relative to Alloy 600 than would be anticipated from laboratory studies. This paper endeavours to resolve this apparent conundrum. It draws on the conclusions of recent research that has focussed on the role of surface finish, particularly cold work and residual stresses resulting from different fabrication processes, on the risk of initiating IGSCC in nickel base alloys in PWR primary water. It also draws on field experience of stress corrosion cracking that highlights the important role of surface finish for crack initiation. (author)

  4. Development of high-capacity nickel-metal hydride batteries using superlattice hydrogen-absorbing alloys

    Science.gov (United States)

    Yasuoka, Shigekazu; Magari, Yoshifumi; Murata, Tetsuyuki; Tanaka, Tadayoshi; Ishida, Jun; Nakamura, Hiroshi; Nohma, Toshiyuki; Kihara, Masaru; Baba, Yoshitaka; Teraoka, Hirohito

    New R-Mg-Ni (R: rare earths) superlattice alloys with higher-capacity and higher-durability than the conventional Mm-Ni alloys with CaCu 5 structure have been developed. The oxidation resistibility of the superlattice alloys has been improved by optimizing the alloy composition by such as substituting aluminum for nickel and optimizing the magnesium content in order to prolong the battery life. High-capacity nickel-metal hydride batteries for the retail market, the Ni-MH2500/900 series (AA size type 2500 mAh, AAA size type 900 mAh), have been developed and commercialized by using an improved superlattice alloy for negative electrode material.

  5. Anomalous effect of small doses of ionizing radiation on metals and alloys

    International Nuclear Information System (INIS)

    Chernov, I.P.; Mamontov, A.P.; Botaki, A.A.; Cherdantsev, P.A.; Chakhlov, B.V.; Sharov, S.R.; Timoshnikov, Yu.A.; Filipenko, L.A.

    1986-01-01

    The effect of small doses of 60 Co gamma rays on copper, tungsten, and WCo alloys has been investigated. A decrease in the concentration of material defects under the influence of small doses of ionizing radiation was found. Also the structural rearrangement of the crystal was found to be still in progress after irradiation ceased. The mechanism of the anomalous effect of small doses of ionizing radiation on metals and alloys is discussed in terms of the electron energy scheme. (U.K.)

  6. X-ray and neutron diffraction studies of some liquid alkali metals and alloys

    International Nuclear Information System (INIS)

    Huijben, M.J.

    1978-01-01

    Experimental techniques and correction procedures have been searched for, which allow a reliable and accurate determination of the structure factors of simple liquid metals, particularly in the small-angle region. A study of binary alloys was carried out and showed that clustering of like atoms (a tendency to phase separation) occurs, indicating special structural aspects. The densities of Na-K, Na-Cs, K-Rb alloys were also measured. (C.F.)

  7. Ferromagnetic semiconductor-metal transition in heterostructures of europium monoxide

    Energy Technology Data Exchange (ETDEWEB)

    Stollenwerk, Tobias; Kroha, Johann [Physikalisches Institut der Universitaet Bonn (Germany)

    2012-07-01

    Experiments on thin films of electron doped europium monoxide show a simultaneous ferromagnetic semiconductor-metal transition which goes along with a huge drop in resistivity over several orders of magnitude. Therefore, this material is a very promising candidate for spintronics applications. We have developed a theory which correctly predicts the simultaneous phase transition in thin films of electron doped EuO and the increase of the Curie temperature T{sub C} with doping concentration. The origin of the increased T{sub C} lies in the enhanced RKKY interaction between the localized 4f moments of the Eu atoms. Therefore, the phase transition is controlled by the population of the conduction band. We investigate the influence of film thickness and interface effects on the population of the conduction band and on the magnetic and electronic properties of the EuO film.

  8. Spatiotemporal Analysis of Heavy Metal Water Pollution in Transitional China

    Directory of Open Access Journals (Sweden)

    Huixuan Li

    2015-07-01

    Full Text Available China’s socioeconomic transitions have dramatically accelerated its economic growth in last three decades, but also companioned with continuous environmental degradation. This study will advance the knowledge of heavy metal water pollution in China from a spatial–temporal perspective. Specifically, this study addressed the following: (1 spatial patterns of heavy metal water pollution levels were analyzed using data of prefecture-level cities from 2004 to 2011; and (2 spatial statistical methods were used to examine the underlying socioeconomic and physical factors behind water pollution including socioeconomic transitions (industrialization, urbanization, globalization and economic development, and environmental characteristic (natural resources, hydrology and vegetation coverage. The results show that only Cr pollution levels increased over the years. The individual pollution levels of the other four heavy metals, As, Cd, Hg, and Pb, declined. High heavy metal water pollution levels are closely associated with both anthropogenic activities and physical environments, in particular abundant mineral resources and industrialization prosperity. On the other hand, economic development and urbanization play important roles in controlling water pollution problems. The analytical findings will provide valuable information for policy-makers to initiate and adjust protocols and strategies for protecting water sources and controlling water pollution; thus improving the quality of living environments.

  9. Density functional theory studies of transition metal nanoparticles in catalysis

    DEFF Research Database (Denmark)

    Greeley, Jeffrey Philip; Rankin, Rees; Zeng, Zhenhua

    2013-01-01

    Periodic Density Functional Theory calculations are capable of providing powerful insights into the structural, energetics, and electronic phenomena that underlie heterogeneous catalysis on transition metal nanoparticles. Such calculations are now routinely applied to single crystal metal surfaces...... and to subnanometer metal clusters. Descriptions of catalysis on truly nanosized structures, however, are generally not as well developed. In this talk, I will illustrate different approaches to analyzing nanocatalytic phenomena with DFT calculations. I will describe case studies from heterogeneous catalysis...... and electrocatalysis, in which single crystal models are combined with Wulff construction-based ideas to produce descriptions of average nanocatalyst behavior. Then, I will proceed to describe explicitly DFT-based descriptions of catalysis on truly nanosized particles (

  10. Insulator-metal transition of fluid molecular hydrogen

    International Nuclear Information System (INIS)

    Ross, M.

    1996-01-01

    Dynamically compressed fluid hydrogen shows evidence for metallization at the relatively low pressure of 140 GPa (1.4 Mbar) while experiments on solid hydrogen made in a diamond-anvil cell have failed to detect any evidence for gap closure up to a pressure of 230 GPa (2.3 Mbar). Two possible mechanisms for metal- liclike resistivity are put forward. The first is that as a consequence of the large thermal disorder in the fluid (kT∼0.2 endash 0.3 eV) short-range molecular interactions lead to band tailing that extends the band edge into the gap, resulting in closure at a lower pressure than in the solid. The second mechanism argues that molecular dissociation creates H atoms that behave similar to n-type donors in a heavily doped semiconductor and undergo a nonmetal-metal Mott-type transition. copyright 1996 The American Physical Society

  11. Determination of Surface Properties of Liquid Transition Metals

    International Nuclear Information System (INIS)

    Korkmaz, S. D.

    2008-01-01

    Certain surface properties of liquid simple metals are reported. Using the expression derived by Gosh and coworkers we investigated the surface entropy of liquid transition metals namely Fe, Co and Ni. We have also computed surface tensions of the metals concerned. The pair distribution functions are calculated from the solution of Ornstein-Zernike integral equation with Rogers-Young closure using the individual version of the electron-ion potential proposed by Fioalhais and coworkers which was originally developed for solid state. The predicted values of surface tension and surface entropy are in very good agreement with available experimental data. The present study results show that the expression derived by Gosh and coworkers is very useful for the surface entropy by using Fioalhais pseudopotential and Rogers-Young closure

  12. Quantum-based Atomistic Simulation of Transition Metals

    International Nuclear Information System (INIS)

    Moriarty, J A; Benedict, L X; Glosli, J N; Hood, R Q; Orlikowski, D A; Patel, M V; Soderlind, P; Streitz, F H; Tang, M; Yang, L H

    2005-01-01

    First-principles generalized pseudopotential theory (GPT) provides a fundamental basis for transferable multi-ion interatomic potentials in d-electron transition metals within density-functional quantum mechanics. In mid-period bcc metals, where multi-ion angular forces are important to structural properties, simplified model GPT or MGPT potentials have been developed based on canonical d bands to allow analytic forms and large-scale atomistic simulations. Robust, advanced-generation MGPT potentials have now been obtained for Ta and Mo and successfully applied to a wide range of structural, thermodynamic, defect and mechanical properties at both ambient and extreme conditions of pressure and temperature. Recent algorithm improvements have also led to a more general matrix representation of MGPT beyond canonical bands allowing increased accuracy and extension to f-electron actinide metals, an order of magnitude increase in computational speed, and the current development of temperature-dependent potentials

  13. Synthesis and structure of two-dimensional transition-metal dichalcogenides

    KAUST Repository

    Shi, Yumeng; Zhang, Hua; Chang, Wen-Hao; Shin, Hyeon Suk; Li, Lain-Jong

    2015-01-01

    Two-dimensional (2D) transition-metal dichalcogenides (TMDCs) exhibit unique electrical, optical, thermal, and mechanical properties, which enable them to be used as building blocks in compact and lightweight integrated electronic systems. The controllable and reliable synthesis of atomically thin TMDCs is essential for their practical application. Recent progress in large-area synthesis of monolayer TMDCs paves the way for practical production of various 2D TMDC layers. The intrinsic optical and electrical properties of monolayer TMDCs can be defined by stoichiometry during synthesis. By manipulating the lattice structure or layer stacking manner, it is possible to create atomically thin van der Waals materials with unique and unexplored physical properties. In this article, we review recent developments in the synthesis of TMDC monolayers, alloys, and heterostructures, which shine light on the design of novel TMDCs with desired functional properties.

  14. Synthesis and structure of two-dimensional transition-metal dichalcogenides

    KAUST Repository

    Shi, Yumeng

    2015-07-13

    Two-dimensional (2D) transition-metal dichalcogenides (TMDCs) exhibit unique electrical, optical, thermal, and mechanical properties, which enable them to be used as building blocks in compact and lightweight integrated electronic systems. The controllable and reliable synthesis of atomically thin TMDCs is essential for their practical application. Recent progress in large-area synthesis of monolayer TMDCs paves the way for practical production of various 2D TMDC layers. The intrinsic optical and electrical properties of monolayer TMDCs can be defined by stoichiometry during synthesis. By manipulating the lattice structure or layer stacking manner, it is possible to create atomically thin van der Waals materials with unique and unexplored physical properties. In this article, we review recent developments in the synthesis of TMDC monolayers, alloys, and heterostructures, which shine light on the design of novel TMDCs with desired functional properties.

  15. The use of alloy 117 as a liquid metal current collector

    Science.gov (United States)

    Maribo, David; Sondergaard, Neal

    1987-09-01

    Low melting point, bismuth based alloys are potential replacements for NaK78 as liquid metal slip ring material because of their lower reactivity and potentially greater hydrodynamic stability. This paper describes experiments with one such alloy in a model of a 300 kW superconducting homopolar motor using close clearance braid type collectors. Slip ring tip velocities varied from 5 to 20 m/s and currents ranging from 500 to 2000 A. Viscous power losses tend to follow a simple turbulent mode. In all, the data supports the use of low melting point alloys as an alternative to Na78.

  16. Screened Coulomb interactions in metallic alloys. I. Universal screening in the atomic-sphere approximation

    DEFF Research Database (Denmark)

    Ruban, Andrei; Skriver, Hans Lomholt

    2002-01-01

    We have used the locally self-consistent Green's-function (LSGF) method in supercell calculations to establish the distribution of the net charges assigned to the atomic spheres of the alloy components in metallic alloys with different compositions and degrees of order. This allows us to determine......-site local interaction zone. We demonstrate that the basic mechanism that governs the charge distribution is the screening of the net charges of the alloy components that makes the direct Coulomb interactions short ranged. In the atomic-sphere approximation, this screening appears to be almost independent...

  17. Design of Hydrogen Storage Alloys/Nanoporous Metals Hybrid Electrodes for Nickel-Metal Hydride Batteries

    Science.gov (United States)

    Li, M. M.; Yang, C. C.; Wang, C. C.; Wen, Z.; Zhu, Y. F.; Zhao, M.; Li, J. C.; Zheng, W. T.; Lian, J. S.; Jiang, Q.

    2016-06-01

    Nickel metal hydride (Ni-MH) batteries have demonstrated key technology advantages for applications in new-energy vehicles, which play an important role in reducing greenhouse gas emissions and the world’s dependence on fossil fuels. However, the poor high-rate dischargeability of the negative electrode materials—hydrogen storage alloys (HSAs) limits applications of Ni-MH batteries in high-power fields due to large polarization. Here we design a hybrid electrode by integrating HSAs with a current collector of three-dimensional bicontinuous nanoporous Ni. The electrode shows enhanced high-rate dischargeability with the capacity retention rate reaching 44.6% at a discharge current density of 3000 mA g-1, which is 2.4 times that of bare HSAs (18.8%). Such a unique hybrid architecture not only enhances charge transfer between nanoporous Ni and HSAs, but also facilitates rapid diffusion of hydrogen atoms in HSAs. The developed HSAs/nanoporous metals hybrid structures exhibit great potential to be candidates as electrodes in high-performance Ni-MH batteries towards applications in new-energy vehicles.

  18. Formation and stability of aluminum-based metallic glasses in Al-Fe-Gd alloys

    International Nuclear Information System (INIS)

    He, Y.; Poon, S.J.; Shiflet, G.J.

    1988-01-01

    Metallic glasses, a class of amorphous alloys made by rapid solidification, have been studied quite extensively for almost thirty years. It has been recognized for a long time that metallic glasses are usually very strong and ductile, and exhibit high corrosion resistance relative to crystalline alloys with the same compositions. Recently, metallic glasses containing as much as 90 atomic percent aluminum have been discovered independently by two groups. This discovery has both scientific and technological implications. The formability of these new glasses have been found to be unusual. Studies of mechanical properties in these new metallic glasses show that many of them have tensile strengths over 800MPa, greatly exceeding the strongest commercial aluminum alloys. The high strengths of aluminum-rich metallic glasses can be of significant importance in obtaining high strength low density materials. Therefore, from both scientific and technological standpoints, it is important to understand the formation and thermal stability of these metallic glasses. Al-Fe-Gd alloys were chosen for a more detailed study since they exhibit high tensile strengths

  19. Life cycle assessment of metal alloys for structural applications

    Science.gov (United States)

    Malovrh Rebec, K.; Markoli, B.; Leskovar, B.

    2018-03-01

    The study compared environmental footprints of two types of Al-alloys: well-known 5083 aluminium alloy with magnesium and traces of manganese and chromium in its composition. This material is highly resistant to seawater corrosion and the influence of industrial chemicals. Furthermore, it retains exceptional strength after welding. The comparisons were made to an innovative alloy where the aluminium based matrix is reinforced by metastable quasicrystals (QC), thus avoiding magnesium in its composition. Furthermore, we checked other aluminium ingots’ footprints and compared European average and Germany country specific production data. Environmental footprints were assessed via cradle to gate life cycle assessment. Our findings normalized to 1 m2 plate suggest, that newly proposed alloy could save around 50 % in value of parameters abiotic resources depletion of fossil fuels, acidification, eutrophication, global warming potential and photochemical ozone creation potential if we compare Qc5 to 6 mm 5083 alloy plate. Only abiotic resources depletion of elements and ozone depletion parameters increase for Qc5 compared to 6 mm 5083 alloy plate.

  20. Depth concentrations of deuterium ions implanted into some pure metals and alloys

    International Nuclear Information System (INIS)

    Didyk, A.Yu.; Wisniewski, R.; Kitowski, K.; Wilczynska, T.; Hofman, A.; Kulikauskas, V.; Shiryaev, A.A.; Zubavichyus, Ya.V.

    2011-01-01

    Pure metals (Cu, Ti, Zr, V, Pd) and diluted Pd alloys (Pd-Ag, Pd-Pt, Pd-Ru, Pd-Rh) were implanted by 25-keV deuterium ions at fluences in the range (1.2-2.3) x 10 22 D + /m 2 . The post-treatment depth distributions of deuterium ions were measured 10 days and three months after the implantation by using Elastic Recoil Detection Analysis (ERDA) and Rutherford Backscattering (RBS). Comparison of the obtained results allowed us to make conclusions about relative stability of deuterium and hydrogen gases in pure metals and diluted Pd alloys. Very high diffusion rates of implanted deuterium ions from V and Pd pure metals and Pd alloys were observed. Small-angle X-ray scattering revealed formation of nanosized defects in implanted corundum and titanium

  1. Influence of Alloy and Solidification Parameters on Grain Refinement in Aluminum Weld Metal due to Inoculation

    Energy Technology Data Exchange (ETDEWEB)

    Schempp, Philipp [BAM, Germany; Tang, Z. [BIAS, Germany; Cross, Carl E. [Los Alamos National Laboratory; Seefeld, T. [BIAS, Germany; Pittner, A. [BAM, Germany; Rethmeier, M. [BAM, Germany

    2012-06-28

    The goals are: (1) Establish how much Ti/B grain refiner is need to completely refine aluminum weld metal for different alloys and different welding conditions; (2) Characterize how alloy composition and solidification parameters affect weld metal grain refinement; and (3) Apply relevant theory to understand observed behavior. Conclusions are: (1) additions of Ti/B grain refiner to weld metal in Alloys 1050, 5083, and 6082 resulted in significant grain refinement; (2) grain refinement was more effective in GTAW than LBW, resulting in finer grains at lower Ti content - reason is limited time available for equiaxed grain growth in LBW (inability to occlude columnar grain growth); (3) welding travel speed did not markedly affect grain size within GTAW and LBW clusters; and (4) application of Hunt CET analysis showed experimental G to be on the order of the critical G{sub CET}; G{sub CET} was consistently higher for GTAW than for LBW.

  2. Phase transition of Ni-Mn-Ga alloy powders prepared by vibration ball milling

    International Nuclear Information System (INIS)

    Tian, B.; Chen, F.; Tong, Y.X.; Li, L.; Zheng, Y.F.; Liu, Y.; Li, Q.Z.

    2011-01-01

    Research highlights: → The vibration ball milling with a high milling energy introduces the atomic disorder and large lattice distortion in the alloy during milling and makes the formation of disordered fcc structure phase in the alloy. → The transition temperature and activation energy for disordered fcc → disordered bcc are ∼320 o C and 209 ± 8 kJ/mol, respectively. → The alloy powders annealed at 800 o C for 1 h show a one-stage martensitic transformation with quite lower latent heat compared to the bulk alloy. - Abstract: This study investigated the phase transformation of the flaky shaped Ni-Mn-Ga powder particles with thickness around 1 μm prepared by vibration ball milling and post-annealing. The SEM, XRD, DSC and ac magnetic susceptibility measurement techniques were used to characterize the Ni-Mn-Ga powders. The structural transition of Heusler → disordered fcc occurred in the powders prepared by vibration ball milling (high milling energy) for 4 h, which was different from the structural transition of Heusler → disordered fct of the powders fabricated by planetary ball milling (low milling energy) for 4 h. The two different structures after ball milling should be due to the larger lattice distortion occurred in the vibration ball milling process than in the planetary ball milling process. The structural transition of disordered fcc → disordered bcc took place at ∼320 o C during heating the as-milled Ni-Mn-Ga powders, which was attributed to the elimination of lattice distortion caused by ball milling. The activation energy for this transition was 209 ± 8 kJ/mol. The Ni-Mn-Ga powder annealed at 800 o C mainly contained Heusler austenite phase at room temperature and showed a low volume of martensitic transformation upon cooling. The inhibition of martensitic transformation might be attributed to the reduction of grain size in the annealed Ni-Mn-Ga particles.

  3. Synthesis of Mg2FeH6 containing as additives transition metal and transition metal fluorides or carbon

    International Nuclear Information System (INIS)

    Zepon, G.; Leiva, D.R.; Botta, W.J.

    2010-01-01

    The Mg 2 FeH 6 is a promising way of storing hydrogen in solid form, composed by elements that have low cost and, at the same time, high volumetric storage density: 150 kg H 2 /m 3 . However, this complex hydride is not easily synthesized as a single phase material. The hydrogen sorption high temperature and slow kinetics are the major limitations for the practical application of the Mg 2 FeH 6 as a hydrogen storage material. Little is known about the effects of additives in Mg 2 FeH 6 based nanocomposites in this work were synthesized by MAE under hydrogen atmosphere nanocomposites based on Mg 2 FeH 6 containing additives as transition metals, transition metals fluorides of transition metals or carbon, in order to obtain information on the effects of the selected additives. To this end, we used characterization techniques such as XRD, SEM and TEM, thermal analysis by DSC and curves made in apparatus PCT.(author)

  4. The effect of hydrogen peroxide concentration on metal ion release from dental casting alloys.

    Science.gov (United States)

    Al-Salehi, S K; Hatton, P V; Johnson, A; Cox, A G; McLeod, C

    2008-04-01

    There are concerns that tooth bleaching agents may adversely affect dental materials. The aim of this study was to test the hypothesis that increasing concentrations of hydrogen peroxide (HP) are more effective than water at increasing metal ion release from two typical dental casting alloys during bleaching. Discs (n = 28 for each alloy) were prepared by casting and heat treated to simulate a typical porcelain-firing cycle. Discs (n = 7) of each alloy were immersed in either 0%, 3%, 10% or 30% (w/v) HP solutions for 24 h at 37 degrees C. Samples were taken for metal ion release determination using inductively coupled plasma-mass spectrometry and the data analysed using a two-way anova followed by a one-way anova. The surface roughness of each disc was measured using a Talysurf contact profilometer before and after bleaching and the data analysed using a paired t-test. With the exception of gold, the differences in metal ion concentration after treatment with 0% (control) and each of 3%, 10% and 30% HP (w/v) were statistically significant (P alloys increased with increasing HP concentrations (over 3000% increase in Ni and 1400% increase in Pd ions were recorded when HP concentration increased from 0% to 30%). Surface roughness values of the samples before and after bleaching were not significantly different (P > 0.05) Exposure of the two dental casting alloys to HP solutions increased metal ion release of all the elements except gold.

  5. Recent advances in controlled synthesis of two-dimensional transition metal dichalcogenides via vapour deposition techniques

    KAUST Repository

    Shi, Yumeng; Li, Henan; Li, Lain-Jong

    2014-01-01

    In recent years there have been many breakthroughs in two-dimensional (2D) nanomaterials, among which the transition metal dichalcogenides (TMDs) attract significant attention owing to their unusual properties associated with their strictly defined dimensionalities. TMD materials with a generalized formula of MX2, where M is a transition metal and X is a chalcogen, represent a diverse and largely untapped source of 2D systems. Semiconducting TMD monolayers such as MoS2, MoSe2, WSe2 and WS2 have been demonstrated to be feasible for future electronics and optoelectronics. The exotic electronic properties and high specific surface areas of 2D TMDs offer unlimited potential in various fields including sensing, catalysis, and energy storage applications. Very recently, the chemical vapour deposition technique (CVD) has shown great promise to generate high-quality TMD layers with a scalable size, controllable thickness and excellent electronic properties. Wafer-scale deposition of mono to few layer TMD films has been obtained. Despite the initial success in the CVD synthesis of TMDs, substantial research studies on extending the methodology open up a new way for substitution doping, formation of monolayer alloys and producing TMD stacking structures or superlattices. In this tutorial review, we will introduce the latest development of the synthesis of monolayer TMDs by CVD approaches.

  6. Recent advances in controlled synthesis of two-dimensional transition metal dichalcogenides via vapour deposition techniques

    KAUST Repository

    Shi, Yumeng

    2014-10-20

    In recent years there have been many breakthroughs in two-dimensional (2D) nanomaterials, among which the transition metal dichalcogenides (TMDs) attract significant attention owing to their unusual properties associated with their strictly defined dimensionalities. TMD materials with a generalized formula of MX2, where M is a transition metal and X is a chalcogen, represent a diverse and largely untapped source of 2D systems. Semiconducting TMD monolayers such as MoS2, MoSe2, WSe2 and WS2 have been demonstrated to be feasible for future electronics and optoelectronics. The exotic electronic properties and high specific surface areas of 2D TMDs offer unlimited potential in various fields including sensing, catalysis, and energy storage applications. Very recently, the chemical vapour deposition technique (CVD) has shown great promise to generate high-quality TMD layers with a scalable size, controllable thickness and excellent electronic properties. Wafer-scale deposition of mono to few layer TMD films has been obtained. Despite the initial success in the CVD synthesis of TMDs, substantial research studies on extending the methodology open up a new way for substitution doping, formation of monolayer alloys and producing TMD stacking structures or superlattices. In this tutorial review, we will introduce the latest development of the synthesis of monolayer TMDs by CVD approaches.

  7. The amorphous phase transition in irradiated NiTi alloy

    International Nuclear Information System (INIS)

    Brimhall, J.L.; Kissinger, H.E.; Pelton, A.R.

    1985-01-01

    Observed supralinear dose dependence for the amorphous transformation during irradiation of NiTi is compatible with a cascade overlap model for heavy ion (2.5 MeV Ni + , 6 MeV Ta +++ ) irradiations. A model based on total defect build-up, however, is necessary to explain the amorphous transition induced by electron irradiation and can also be applied to heavy ion irradiation. The cascade effects in this latter model are manifested by non-uniform defect distribution in the lattice. The defect build-up model requires a high activation energy for interstitial migration which is not incompatible with recent findings. The form of the temperature dependence can also be rationalized using a defect build-up model (amorphous phase transition, heavy-ion irradiation, electron irradiation, NiTi, defect build-up, cascade overlap). (author)

  8. On the recovery of neutron irradiation defects of some metals and alloys

    International Nuclear Information System (INIS)

    Mohamed, H.G.; Matta, M.K.

    2001-01-01

    This work deals with the recovery of mechanical properties of neutron irradiated material to the pre-irradiating values. Rate of migration of defects responsible for radiation hardening and those inducing radiation embrittlement is analyzed. Role of crystalline structure is also studied. Materials of FCC crystal structure used in these investigations are pure Cu, Cu-5 at. % , Al, Cu-5 at. % Si, some Ni base binary alloys and some austenitic stainless steels mainly of AISI types 304 and 316. Among materials of BCC crystalline structure Fe-6 wt % Cr alloy is used. Alloys with CPH structure used in the present investigations are Zr-l wt. % Nb and Mg - 4.8 wt % Li alloys. History of material is studied such as cold worked state and annealed condition. Character of alloying elements and their amounts were of interest in this study. The result showed that the higher the percentage radiation hardening, the slower is the migration of radiation defects. Irradiated pure metals recovered at a higher temperature than alloys. Cold work accelerated the migration of radiation defects. The amount of alloying elements had little effect on the recovery temperatures. Character of solute alloying elements (substitutional or interstitial) revealed sensitive effect on the migration of radiation defects. Rate of migration of defects causing hardening can be different from those causing embrittlement. (author)

  9. Glass Transition Kinetics of 2714A amorphous alloy

    Science.gov (United States)

    Shanker Rao, T.; Lilly Shanker Rao, T.; Shaker, A. M.; Venkataraman, K.

    2018-03-01

    The present study is related to the kinetics of onset crystallization, Tx and peak crystallization Tp of cobalt based metallic glass 2714A (Co65Si15B14Fe4Ni2) using Differential Scanning Calorimetry (DSC). Non-isothermal measurements were performed at different heating rates (2, 4, 6, 8 and 10 K/min).The experimental results of the crystallization were studied by two most frequently used methods, i.e., Moynihan and Kissinger. The onset crystallization was also studied by VFT and Lasock’s approaches in addition to the above two methods. The activation energy of crystallization Ec was found to be 622.86 and 638.28 kJ/mol and Ex the activation energy of onset crystallization to be 676.34 and 688.93 kJ/mol respectively. Here Tx is used as a substitution of Tg to calculate the fragility index m of the cobalt based metallic glass in the absence of Tg. The fragility index, m which is a measure of glass forming ability (GFA) is also calculated and the value falls between 20 and 60. This indicates the studied metallic glass is an intermediate strong glass.

  10. Phase transition and hydrogen storage properties of Mg–Ga alloy

    International Nuclear Information System (INIS)

    Wu, Daifeng; Ouyang, Liuzhang; Wu, Cong; Wang, Hui; Liu, Jiangwen; Sun, Lixian; Zhu, Min

    2015-01-01

    Highlights: • A fully reversible transformation in Mg–Ga–H system with reduced dehydrogenation enthalpy is realized. • The mechanism of phase transformation in the de/hydrogenation of Mg–Ga alloy is revealed. • The de/hydrogenation process of Mg 5 Ga 2 compound is expressed as: Mg 5 Ga 2 + H 2 ↔ 2Mg 2 Ga + MgH 2 . - Abstract: Mg-based alloys are viewed as one of the most promising candidates for hydrogen storage; however, high desorption temperature and the sluggish kinetics of MgH 2 hinder their practical application. Alloying and changing the reaction pathway are effective methods to solve these issues. As the solid solubility of Ga in Mg is 5 wt% at 573 K, the preparation of a Mg(Ga) solid solution at relatively high temperatures was designed in this paper. The phase transition and hydrogen storage properties of the MgH 2 and Mg 5 Ga 2 composite (hereafter referred to as Mg–Ga alloy) were investigated by X-ray diffraction (XRD), pressure–composition-isotherm (PCI) measurements, and differential scanning calorimetry (DSC). The reversible hydrogen storage capacity of Mg–Ga alloy is 5.7 wt% H 2 . During the dehydrogenation process of Mg–Ga alloy, Mg 2 Ga reacts with MgH 2 , initially releasing H 2 and forming Mg 5 Ga 2 ; subsequently, MgH 2 decomposes into Mg with further release of H 2 . The phase transition mechanism of the Mg 5 Ga 2 compound during the dehydrogenation process was also investigated by using in situ XRD analysis. In addition, the dehydrogenation enthalpy and entropy changes, and the apparent activation energy were also calculated

  11. Corrosion-resistant amorphous metallic films of Mo49Cr33B18 alloy

    Science.gov (United States)

    Ramesham, R.; Distefano, S.; Fitzgerald, D.; Thakoor, A. P.; Khanna, S. K.

    1987-01-01

    Corrosion-resistant amorphous metallic alloy films of Mo49Cr33B18 with a crystallization temperature of 590 C were deposited onto glass and quartz substrates by magnetron sputter-quench technique. The amorphous nature of the films was confirmed by their diffuse X-ray diffraction patterns. The deposited films are densely packed (zone T) and exhibit low stress and good adhesion to the substrate. Corrosion current of as-deposited coating of MoCrB amorphous metallic alloy is approximately three orders of magnitude less than the corrosion current of 304 stainless steel in 1N H2SO4 solution.

  12. A Fundamental Approach to Developing Aluminium based Bulk Amorphous Alloys based on Stable Liquid Metal Structures and Electronic Equilibrium - 154041

    Science.gov (United States)

    2017-03-28

    AFRL-AFOSR-JP-TR-2017-0027 A Fundamental Approach to Developing Aluminium -based Bulk Amorphous Alloys based on Stable Liquid-Metal Structures and...to 16 Dec 2016 4.  TITLE AND SUBTITLE A Fundamental Approach to Developing Aluminium -based Bulk Amorphous Alloys based on Stable Liquid-Metal...Air Force Research Laboratory for accurately predicting compositions of new amorphous alloys specifically based on aluminium with properties superior

  13. Comparative study of the synthesis of layered transition metal molybdates

    International Nuclear Information System (INIS)

    Mitchell, S.; Gomez-Aviles, A.; Gardner, C.; Jones, W.

    2010-01-01

    Mixed metal oxides (MMOs) prepared by the mild thermal decomposition of layered double hydroxides (LDHs) differ in their reactivity on exposure to aqueous molybdate containing solutions. In this study, we investigate the reactivity of some T-Al containing MMOs (T=Co, Ni, Cu or Zn) towards the formation of layered transition metal molybdates (LTMs) possessing the general formula AT 2 (OH)(MoO 4 ) 2 .H 2 O, where A=NH 4 + , Na + or K + . The phase selectivity of the reaction was studied with respect to the source of molybdate, the ratio of T to Mo and the reaction pH. LTMs were obtained on reaction of Cu-Al and Zn-Al containing MMOs with aqueous solutions of ammonium heptamolybdate. Rehydration of these oxides in the presence of sodium or potassium molybdate yielded a rehydrated LDH phase as the only crystalline product. The LTM products obtained by the rehydration of MMO precursors were compared with LTMs prepared by direct precipitation from the metal salts in order to study the influence of preparative route on their chemical and physical properties. Differences were noted in the composition, morphology and thermal properties of the resulting products. - Graphical abstract: Mixed metal oxides (MMOs) derived from layered double hydroxide precursors differ in their reactivity on exposure to aqueous molybdate containing solutions. We investigate the influence of the molybdate source, the rehydration pH and the ratio of T/Mo on the reactivity of some T-Al containing MMOs (T=Co, Ni, Cu or Zn) towards the formation of layered transition metal molybdates of general formula AT 2 (OH)(MoO 4 ) 2 .H 2 O (where A + =NH 4 + , K + or Na + ).

  14. Nanofluid based on self-nanoencapsulated metal/metal alloys phase change materials with tuneable crystallisation temperature.

    Science.gov (United States)

    Navarrete, Nuria; Gimeno-Furio, Alexandra; Mondragon, Rosa; Hernandez, Leonor; Cabedo, Luis; Cordoncillo, Eloisa; Julia, J Enrique

    2017-12-14

    Nanofluids using nanoencapsulated Phase Change Materials (nePCM) allow increments in both the thermal conductivity and heat capacity of the base fluid. Incremented heat capacity is produced by the melting enthalpy of the nanoparticles core. In this work two important advances in this nanofluid type are proposed and experimentally tested. It is firstly shown that metal and metal alloy nanoparticles can be used as self-encapsulated nePCM using the metal oxide layer that forms naturally in most commercial synthesis processes as encapsulation. In line with this, Sn/SnOx nanoparticles morphology, size and thermal properties were studied by testing the suitability and performance of encapsulation at high temperatures and thermal cycling using a commercial thermal oil (Therminol 66) as the base fluid. Secondly, a mechanism to control the supercooling effect of this nePCM type based on non-eutectic alloys was developed.

  15. Investigation of route to martensitic transition in Ni-Mn-In shape memory alloys

    Science.gov (United States)

    Nevgi, R.; Priolkar, K. R.; Righi, L.

    2018-04-01

    The temperature dependent x-ray diffraction and magnetization measurements on the off stoichiometric Ni2Mn1+xIn1-x alloys have confirmed the appearance of martensite at critical Mn concentration of x=0.35. The high temperature phase of all the alloys have cubic L21 structure with the lattice constant steadily decreasing with increase in Mn concentration. Martensitic transition begins to appear in Ni2Mn1.35In0.65 at about 197K and the structure seems to adopt two phases including the major cubic along with the modulated monoclinic phase. This has been explained on the basis of number of Mn-Ni-Mn hybridized pairs that are responsible for inducing martensitic transition.

  16. The glass transition, crystallization and melting in Au-Pb-Sb alloys

    Science.gov (United States)

    Lee, M. C.; Allen, J. L.; Fecht, H. J.; Perepezko, J. H.; Ohsaka, K.

    1988-01-01

    The glass transition, crystallization and melting of Au(55)Pb(22.5)Sb(22.5) alloys have been studied by differential scanning calorimetry DSC. Crystallization on heating above the glass transition temperature Tg (45 C) begins at 64 C. Further crystallization events are observed at 172 C and 205 C. These events were found to correspond to the formation of the intermetallic compounds AuSb2, Au2Pb, and possibly AuPb2, respectively. Isothermal DSC scans of the glassy alloy above Tg were used to monitor the kinetics of crystallization. The solidification behavior and heat capacity in the glass-forming composition range were determined with droplet samples. An undercooling level of 0.3T(L) below the liquidus temperature T(L) was achieved, resulting in crystallization of different stable and metastable phases. The heat capacity C(P) of the undercooled liquid was measured over an undercooling range of 145 C.

  17. Atomic structure of non-stoichiometric transition metal carbides

    International Nuclear Information System (INIS)

    Moisy-Maurice, Virginie.

    1981-10-01

    Different kinds of experimental studies of the atomic arrangement in non-stoichiometric transition metal carbides are proposed: the ordering of carbon vacancies and the atomic static displacements are the main subjects studied. Powder neutron diffraction on TiCsub(1-x) allowed us to determine the order-disorder transition critical temperature -Tsub(c) approximately 770 0 C- in the TiCsub(0.52-0.67) range, and to analyze at 300 K the crystal structure of long-range ordered samples. A neutron diffuse scattering quantitative study at 300 K of short-range order in TiCsub(0.76), TiCsub(0.79) and NbCsub(0.73) single crystals is presented: as in Ti 2 Csub(1+x) and Nb 6 C 5 superstructures, vacancies avoid to be on each side of a metal atom. Besides, the mean-square carbon atom displacements from their sites are small, whereas metal atoms move radially about 0.03 A away from vacancies. These results are in qualitative agreement with EXAFS measurements at titanium-K edge of TiCsub(1-x). An interpretation of ordering in term of short-range interaction pair potentials between vacancies is proposed [fr

  18. Cohesion and coordination effects on transition metal surface energies

    Science.gov (United States)

    Ruvireta, Judit; Vega, Lorena; Viñes, Francesc

    2017-10-01

    Here we explore the accuracy of Stefan equation and broken-bond model semiempirical approaches to obtain surface energies on transition metals. Cohesive factors are accounted for either via the vaporization enthalpies, as proposed in Stefan equation, or via cohesive energies, as employed in the broken-bond model. Coordination effects are considered including the saturation degree, as suggested in Stefan equation, employing Coordination Numbers (CN), or as the ratio of broken bonds, according to the bond-cutting model, considering as well the square root dependency of the bond strength on CN. Further, generalized coordination numbers CN bar are contemplated as well, exploring a total number of 12 semiempirical formulations on the three most densely packed surfaces of 3d, 4d, and 5d Transition Metals (TMs) displaying face-centered cubic (fcc), body-centered cubic (bcc), or hexagonal close-packed (hcp) crystallographic structures. Estimates are compared to available experimental surface energies obtained extrapolated to zero temperature. Results reveal that Stefan formula cohesive and coordination dependencies are only qualitative suited, but unadvised for quantitative discussion, as surface energies are highly overestimated, favoring in addition the stability of under-coordinated surfaces. Broken-bond cohesion and coordination dependencies are a suited basis for quantitative comparison, where square-root dependencies on CN to account for bond weakening are sensibly worse. An analysis using Wulff shaped averaged surface energies suggests the employment of broken-bond model using CN to gain surface energies for TMs, likely applicable to other metals.

  19. Atomic-level Electron Microscopy of Metal and Alloy Electrocatalysts

    DEFF Research Database (Denmark)

    Deiana, Davide

    , the elemental distribution of the PtxY, before and after the electrochemical tests, has been determined. A core-shell structure is formed after the ORR chemical treatment, with an alloyed core embedded by a ~1 nm Pt-rich shell, due to the segregation of the Y from the first few atomic layers of the particle...... was the only matching structure. In the case of Pd−Hg, a core-shell structure has been found, with a pure Pd core and a Pd-Hg shell. Through atomic resolution STEM, the structure of the alloy in the shell of different particles has been revealed, showing the formation of an ordered alloy structure....... flat surfaces and exposed to different sintering conditions. Ex situ STEM imaging has been used to monitor the variation of the particle dimensions through the analysis of particle area distributions. Clusters with a monomodal size distribution exhibited intrinsic sintering resistance on different...

  20. Texture characterisation of hexagonal metals: Magnesium AZ91 alloy, welded by laser processing

    International Nuclear Information System (INIS)

    Kouadri, A.; Barrallier, L.

    2006-01-01

    Cooled and cast magnesium AZ91 alloy was welded using a CO 2 laser. The changes in the microstructure were analysed by optical and scanning electron microscopy and X-ray diffraction. Modification of the anisotropic properties was evaluated by the characterization of the texture in the base metal, in the core of the welded zone and in the welded zone close to the surface. In the two former zones, we have not observed a texture. Laser welding only leads to a change of the grain size and a disappearance of the eutectic phase. By contrast, in the welded zone close to the surface, the laser process leads both to a finer microstructure, to a loss of the Al-content and to the presence of several texture components. In this zone, our results showed that these textures are on pyramidal {101-bar 1} and prismatic {101-bar 0} planes. Much of the explanation for such texture rests with the fact that during the laser welding, material solidifies in strong non-equilibrium conditions. The kinetics of the nucleation and the growth are partly controlled by the high-rise and high fall of the temperature and the power produced by the laser process. The nature of the texture has been explained by the presence of a columnar to equiaxed transition in the welded zone