WorldWideScience

Sample records for linear muffin-tin orbital

  1. Classical and quantum chaotic scattering in a muffin tin potential

    International Nuclear Information System (INIS)

    Brandis, S.

    1995-05-01

    In this paper, we study the classical mechanics, the quantum mechanics and the semi-classical approximation of the 2-dimensional scattering from a muffin tin potential. The classical dynamical system for Coulombic muffin tins is proven to be chaotic by explicit construction of the exponentially increasing number of periodic orbits. These are all shown to be completely unstable (hyperbolic). By methods of the thermodynamic formalism we can determine the Hausdorff dimension, escape rate and Kolmogorov-Sinai-entropy of the system. An extended KKR-method is developed to determine the quantum mechanical S-matrix. We compare a few integrable scattering examples with the results of the muffin tin scattering. Characteristic features of the spectrum of eigenphases turn out to be the level repulsion and long range rigidity as compared to a completely random spectrum. In the semiclassical analysis we can rederive the regularized Gutzwiller trace formula directly from the exact KKR-determinant to prove that no further terms contribute in the case of the muffin tin potential. The periodic orbit sum allows to draw some qualitative conclusions about the effects of classical chaos on the quantum mechanics. In the context of scaling systems the theory of almost periodic functions is discussed as a possible mathematical foundation for the semiclassical periodic orbit sums. Some results that can be obtained from this analysis are developed in the context of autocorrelation functions and distribution functions for chaotic scattering systems. (orig.)

  2. Chaos in a coulombic muffin-tin potential

    International Nuclear Information System (INIS)

    Brandis, S.

    1994-04-01

    We study the two-dimensional classical scattering dynamics by a Muffin-Tin potential with 3 Coulomb singularities. A complete symbolic dynamics for the periodic orbits is derivd. The classical trajectories are shown to be hyperbolic everywhere in phase space and to carry no conjugate points. (orig.)

  3. A full-potential linear-muffin-tin-orbital molecular-dynamics study of B{sub 7}, B{sub 10} and B{sub 13} clusters

    Energy Technology Data Exchange (ETDEWEB)

    Cao Peilin Cao; Zhao Wei; Li Baoxing; Song Bin; Zhou Xuyan [Department of Physics and State Key Laboratory of Silicon Material, Zhejiang University, Hangzhou, Zhejiang (China)

    2001-06-04

    The structures of B{sub 7}, B{sub 10} and B{sub 13} boron clusters are studied using the full-potential linear-muffin-tin-orbital molecular-dynamics method. Seven stable structures for B{sub 7} and fifteen for B{sub 10} have been obtained. C{sub 2h}-B{sub 10} is the most stable among the 15 structures, but C{sub 2v}-B{sub 10} is not stable. For B{sub 13}, three degenerate ground-state structures have been found. The potential surface near C{sub 2v}-B{sub 7} (ground state) and D{sub 6h}-B{sub 7} is very flat. As a fundamental unit in constructing bigger clusters, C{sub 2v}-B{sub 7} will change its form easily. The most stable structures for B{sub 7}, B{sub 10} and B{sub 13} clusters are two-dimensional (quasi-) planar clusters, rather than the three-dimensional ones. General speaking, these clusters obey the 'Aufbau principle'. (author)

  4. Self-consistent approximation for muffin-tin models of random substitutional alloys with environmental disorder

    International Nuclear Information System (INIS)

    Kaplan, T.; Gray, L.J.

    1984-01-01

    The self-consistent approximation of Kaplan, Leath, Gray, and Diehl is applied to models for substitutional random alloys with muffin-tin potentials. The particular advantage of this approximation is that, in addition to including cluster scattering, the muffin-tin potentials in the alloy can depend on the occupation of the surrounding sites (i.e., environmental disorder is included)

  5. RF measurements of a traveling-wave muffin-tin accelerating structure at 90 GHz

    International Nuclear Information System (INIS)

    Chou, P.J.; Bowden, G.B.; Copeland, M.R.; Menegat, A.; Pritzkau, D.P.; Siemann, R.H.

    1997-05-01

    A measuring system at the table-top scale was developed for RF measurements of a muffin-tin accelerating structure operating at 32 times the SLAC frequency (2.856 GHz). Both perturbation and non-perturbation methods are employed to characterize the RF properties of a muffin-tin structure. Conventional bead pull measurements are extended to millimeter wavelengths. Design of the measuring system and preliminary results of RF measurements are presented

  6. Generalized KKR-theory for non-muffin-tin potentials

    NARCIS (Netherlands)

    Molenaar, J.

    1989-01-01

    The author shows that the secular equation in KKR (Korringa, Kohn and Rostoker) theory retains its separable structure also in the case of non-muffin-tin potentials. This generalisation has been extensively discussed recently. During this discussion, in which the possible necessity of so-called near

  7. Variationally-optimized muffin-tin potentials for band calculations

    International Nuclear Information System (INIS)

    Pant, M.M.

    1979-09-01

    A method is suggested to determine the best local periodic crystal potential V(r) by minimizing the Hartree-Fock expectation value of the energy. The explicit form of the integral equation for the local exchange potential is obtained for the special case of the Muffin-tin aproximation. (author)

  8. F-centers in alkaline-earth fluorides. Inadequacy of the muffin-tin approximation

    International Nuclear Information System (INIS)

    Oliveira, L.E.; Oliveira, P.M.; Maffeo, B.

    1977-01-01

    The SCF-MSXα (Self Consisting F-centers-Multiple Scattering Xα) method has been applied in the study of the electronic structure of F centers in CaF 2 , SrF 2 and BaF 2 . The predicted optical transition energies are in disagreement with the experimental data. An explanation for the discrepancy is provided showing the inadequacy of the spherical averaging of the potential within the muffin-tin approximation [pt

  9. Position space Green's function and its application to a non-muffin tin band theory

    International Nuclear Information System (INIS)

    Brown, R.G.

    1982-01-01

    A new way of applying the non-spherically symmetric phase functional method of Williams and Van Morgan to the band structure problem is derived that results in a generalized (non-muffin tin) multiple scattering band theory that is variationally stationary and exact in the single-electron, local potential Schroedinger theory. The phase functional basis derived arises from considering integral equation solutions to differential equations of the Schroedinger or inhomogeneous Helmholtz type. It is shown to be conditionally complete on any spherical domain. It is applied to the ordinary scattering problem and the general multiple scattering problem, where it is shown that any multiple scattering theory that is muffin tin approximated can probably have the approximation removed. The so-called near field correction that is believed to destroy the separability of KKR-like band theories or multiple scattering problems where the bounding spheres of nearest neighbor domains overlap is shown to be generally absorbed in a convergent fashion into the usual sum over structure constants in the theory. The extension of this theory to a full self-consistent-field calculation is briefly discussed, but the actual derivations are deferred until various numerical tests in progress are completed

  10. Design and fabrication of a traveling-wave muffin-tin accelerating structure at 90 GHz

    International Nuclear Information System (INIS)

    Chou, P.J.; Bowden, G.B.; Copeland, M.R.; Menegat, A.; Siemann, R.H.

    1997-05-01

    A prototype of a muffin-tin accelerating structure operating at 32 times the SLAC frequency (2.856 GHz) was built for research in high gradient acceleration. A traveling-wave design with single input and output feeds was chosen for the prototype which was fabricated by wire electrodischarge machining. Features of the mechanical design for the prototype are described. Design improvements are presented including considerations of cooling and vacuum

  11. FEAST fundamental framework for electronic structure calculations: Reformulation and solution of the muffin-tin problem

    Science.gov (United States)

    Levin, Alan R.; Zhang, Deyin; Polizzi, Eric

    2012-11-01

    In a recent article Polizzi (2009) [15], the FEAST algorithm has been presented as a general purpose eigenvalue solver which is ideally suited for addressing the numerical challenges in electronic structure calculations. Here, FEAST is presented beyond the “black-box” solver as a fundamental modeling framework which can naturally address the original numerical complexity of the electronic structure problem as formulated by Slater in 1937 [3]. The non-linear eigenvalue problem arising from the muffin-tin decomposition of the real-space domain is first derived and then reformulated to be solved exactly within the FEAST framework. This new framework is presented as a fundamental and practical solution for performing both accurate and scalable electronic structure calculations, bypassing the various issues of using traditional approaches such as linearization and pseudopotential techniques. A finite element implementation of this FEAST framework along with simulation results for various molecular systems is also presented and discussed.

  12. Rigid muffin-tin approximation for the electron-phonon interaction in transition metals

    International Nuclear Information System (INIS)

    Butler, W.H.

    1980-01-01

    Progress in calculating the electron-phonon parameters of transition metals has been based on either the rigid muffin-tin approximation (RMTA) or the fitted modified tight-binding approximation (FMTBA). The RMTA has been shown to be remarkably accurate for average electron-phonon properties, but there are indications that RMTA matrix elements may be too small at low momentum transfer. An attempt is made to demonstrate these assertions concerning the accuracy of RMTA and the numerous electron-phonon calculations are placed in a broader perspective by a demonstration of how they can be used to explain the trends in the strength of the electron-phonon coupling among the transition metals and the A-15 compounds

  13. Rigid muffin-tin approximation for the electron-phonon interaction in transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Butler, W.H.

    1980-01-01

    Progress in calculating the electron-phonon parameters of transition metals has been based on either the rigid muffin-tin approximation (RMTA) or the fitted modified tight-binding approximation (FMTBA). The RMTA has been shown to be remarkably accurate for average electron-phonon properties, but there are indications that RMTA matrix elements may be too small at low momentum transfer. An attempt is made to demonstrate these assertions concerning the accuracy of RMTA and the numerous electron-phonon calculations are placed in a broader perspective by a demonstration of how they can be used to explain the trends in the strength of the electron-phonon coupling among the transition metals and the A-15 compounds. (GHT)

  14. Crystal structure from one-electron theory

    DEFF Research Database (Denmark)

    Skriver, H. L.

    1985-01-01

    The authors have studied the crystal structure of all the 3d, 4d, and 5d transition metals at zero pressure and temperature by means of the linear muffin-tin orbital method and Andersen's force theorem. They find that, although the structural energy differences seem to be overestimated by the the......The authors have studied the crystal structure of all the 3d, 4d, and 5d transition metals at zero pressure and temperature by means of the linear muffin-tin orbital method and Andersen's force theorem. They find that, although the structural energy differences seem to be overestimated...

  15. Optimized surface-slab excited-state muffin-tin potential and surface core level shifts

    International Nuclear Information System (INIS)

    Rundgren, J.

    2003-01-01

    An optimized muffin-tin (MT) potential for surface slabs with preassigned surface core-level shifts (SCLS's) is presented. By using the MT radii as adjustable parameters the model is able to conserve the definition of the SCLS with respect to the bulk and concurrently to generate a potential that is continuous at the MT radii. The model is conceived for elastic electron scattering in a surface slab with exchange-correlation interaction described by the local density approximation. The model employs two data bases for the self-energy of the signal electron (after Hedin and Lundqvist or Sernelius). The potential model is discussed in detail with two surface structures Be(101-bar0), for which SCLS's are available, and Cu(111)p(2x2)Cs, in which the close-packed radii of the atoms are extremely different. It is considered plausible that tensor LEED based on an optimized MT potential can be used for determining SCLS's

  16. Evidence of the correlation between a strong 4d-As/2p-N orbitals coupling and the bowing effect in GaAsN

    International Nuclear Information System (INIS)

    Mehnane, N.; Badi, F.; Abid, H.; Reda Aced, M.; Sekkal, N.

    2008-05-01

    By means of a simple physical argumentation, we give the proof that the giant bowing observed in GaAsN is correlated to a strong interaction between 4d-As and 2p-N orbitals. The calculations were carried out within the first principles full potential linear muffin-tin orbitals method (FPLMTO) method in its plane wave approximation (PLW) which enables an accurate treatment of the interstitial regions. The choice of this method ensures our work to be free from adjustable parameters and enables us to perform a microscopic study. (author)

  17. Quantum Well States in Fe/Nb(001) Multilayers: First Principles Study

    National Research Council Canada - National Science Library

    Sliukia, Nitya N; Sen, A; Prasad, R

    2007-01-01

    A first principle study to understand the phenomena of interlayer exchange coupling in Fe/Nb multilayers using the linearized-muffin-tin-orbitals method within the generalized gradient approximation was performed...

  18. Ab initio full charge-density study of the atomic volume of α-phase Fr, Ra, Ac, Th, Pa, U, Np, and Pu

    DEFF Research Database (Denmark)

    Vitos, Levente; Kollár, J.; Skriver, Hans Lomholt

    1997-01-01

    We have used a full charge-density technique based on the linear muffin-tin orbitals method in first-principles calculations of the atomic volumes of the light actinides including Fr, Ra, and Ac in their low-temperature crystallographic phases. The good agreement between the theoretical and exper......We have used a full charge-density technique based on the linear muffin-tin orbitals method in first-principles calculations of the atomic volumes of the light actinides including Fr, Ra, and Ac in their low-temperature crystallographic phases. The good agreement between the theoretical...... and experimental values along the series support the picture of itinerant 5f electronic states in Th to Pu. The increased deviation between theory and experiment found in Np and Pu may be an indication of correlation effects not included in the local density approximation....

  19. Multiple-scattering theory with a truncated basis set

    International Nuclear Information System (INIS)

    Zhang, X.; Butler, W.H.

    1992-01-01

    Multiple-scattering theory (MST) is an extremely efficient technique for calculating the electronic structure of an assembly of atoms. The wave function in MST is expanded in terms of spherical waves centered on each atom and indexed by their orbital and azimuthal quantum numbers, l and m. The secular equation which determines the characteristic energies can be truncated at a value of the orbital angular momentum l max , for which the higher angular momentum phase shifts, δ l (l>l max ), are sufficiently small. Generally, the wave-function coefficients which are calculated from the secular equation are also truncated at l max . Here we point out that this truncation of the wave function is not necessary and is in fact inconsistent with the truncation of the secular equation. A consistent procedure is described in which the states with higher orbital angular momenta are retained but with their phase shifts set to zero. We show that this treatment gives smooth, continuous, and correctly normalized wave functions and that the total charge density calculated from the corresponding Green function agrees with the Lloyd formula result. We also show that this augmented wave function can be written as a linear combination of Andersen's muffin-tin orbitals in the case of muffin-tin potentials, and can be used to generalize the muffin-tin orbital idea to full-cell potentals

  20. Positron annihilation and pressure-induced electronic s-d transition

    International Nuclear Information System (INIS)

    McMahan, A.K.; Skriver, H.L.

    1985-06-01

    The polycrystalline, partial annihilation rates for positrons in compressed cesium have been calculated using the linear muffin-tin orbitals method. These results suggest that the pressure-induced electronic s-d transition in Cs should be directly observable by momentum sensitive positron annihilation experiments

  1. The Electronic Structure of Calcium

    DEFF Research Database (Denmark)

    Jan, J.-P.; Skriver, Hans Lomholt

    1981-01-01

    The electronic structure of calcium under pressure is re-examined by means of self-consistent energy band calculations based on the local density approximation and using the linear muffin-tin orbitals (LMTO) method with corrections to the atomic sphere approximation included. At zero pressure...

  2. Deep layer-resolved core-level shifts in the beryllium surface

    DEFF Research Database (Denmark)

    Aldén, Magnus; Skriver, Hans Lomholt; Johansson, Börje

    1993-01-01

    Core-level energy shifts for the beryllium surface region are calculated by means of a Green’s function technique within the tight-binding linear muffin-tin orbitals method. Both initial- and final-state effects in the core-ionization process are fully accounted for. Anomalously large energy shifts...

  3. Ab initio work function of elemental metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Rosengaard, N. M.

    1992-01-01

    We have used a recently developed self-consistent Green’s-function technique based on tight-binding linear-muffin-tin-orbital theory to calculate the work function for the close-packed surfaces of 37 elemental metals. The results agree with the limited experimental data obtained from single cryst...

  4. Electronic and optical properties of lead iodide

    DEFF Research Database (Denmark)

    Ahuja, R.; Arwin, H.; Ferreira da Silva, A.

    2002-01-01

    The electronic properties and the optical absorption of lead iodide (PbI2) have been investigated experimentally by means of optical absorption and spectroscopic ellipsometry, and theoretically by a full-potential linear muffin-tin-orbital method. PbI2 has been recognized as a very promising...

  5. Electronic Structure of TIBa(sub 2)CaCu(sub 2)O(sub 7-delta)

    Science.gov (United States)

    Vasquez, R. P.; Novikov, D. L.; Freeman, A. J.; Siegal, M. P.

    1996-01-01

    The core levels of TIBa(sub 2)CaCu(sub 2)O(sub 7-delta) epitaxial films have been measured with x-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin tin orbital band structure method and measured with XPS.

  6. Electronic structure, cohesive, and magnetic properties of the actinide-iridium Laves phases

    DEFF Research Database (Denmark)

    Eriksson, O.; Johansson, B.; Brooks, M. S. S.

    1989-01-01

    The electronic structure of the isostructural AIr2 systems (A=Th, Pa, U, Np, Pu, and Am) has been obtained by means of the scalar relativistic and fully relativistic linear muffin-tin orbital techniques. Ground-state properties such as lattice constants and onset of magnetic order have been calcu...

  7. The s-d Transition in Compressed Lanthanum

    DEFF Research Database (Denmark)

    McMahan, A.K.; Skriver, Hans Lomholt; Johansson, B.

    1981-01-01

    Calculations of the pressure-volume isotherms for FCC La have been carried out up to pressures of 2 Mbars and temperatures up to 3.4 eV, using the self-consistent linear-muffin-tin-orbital method. The isothermal bulk modulus shows an anomalous stiffening over the pressure range 320-560 kbars, due...

  8. Electronic structure and optical properties of thorium monopnictides

    Indian Academy of Sciences (India)

    We have calculated the electronic density of states (DOS) and dielectric function for the ThX (X = P, As and Sb) using the linear muffin tin orbital method within atomic sphere approximation (LMTO–ASA) including the combined correction terms. The calculated electronic DOS of ThSb has been compared with the available ...

  9. Ab initio surface core-level shifts and surface segregation energies

    DEFF Research Database (Denmark)

    Aldén, Magnus; Skriver, Hans Lomholt; Johansson, Börje

    1993-01-01

    We have calculated the surface core-level energy shifts of the 4d and 5d transition metals by means of local-density theory and a Green’s-function technique based on the linear muffin-tin orbitals method. Final-state effects are included by treating the core-ionized atom as an impurity located in...

  10. The Electronic Band Structure of Platinum Oxide (PtO) | Omehe ...

    African Journals Online (AJOL)

    We have performed the electronic band structure of the bulk and monolayer of PtO using the full potential linear muffin-tin orbital and the projector augmented wave method with the density functional theory. We applied the LDA and LDA+U scheme to both methods. It was found out that the LDA calculation of bulk PtO ...

  11. Prediction of Fermi-Surface Pressure Dependence in Rb and Cs

    DEFF Research Database (Denmark)

    Jan, J. P.; MacDonald, A. H.; Skriver, Hans Lomholt

    1980-01-01

    The linear muffin-tin orbitals method of band-structure calculation, combined with a Gaussian integration technique using special directions in the Brillouin zone, has been used to calculate Fermi radii and extremal cross-sectional areas of the Fermi surface in rubidium and cesium. Band shifts we......-surface pressure dependence agree with the limited experimental data available....

  12. Band Structure and Fermi Surface of Cu2Sb by the LMTO Method

    DEFF Research Database (Denmark)

    Jan, J. P.; Skriver, Hans Lomholt

    1977-01-01

    The linear muffin-tin orbital (LMTO) method of bandstructure calculation has been applied to the simple tetragonal compound Cu2Sb. The d bands of Cu lie substantially below the Fermi level, and the Fermi surface is a recognizable distortion of the free-electron model. The Fermi surface has sheets......-orbit splitting, and of another closed sheet. Earlier de Haas-van Alphen results are explained semiquantitatively by the model, which also accounts for open orbits seen in high-field magnetoresistance experiments....

  13. 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...

  14. Electronic structure of thin films by the self-consistent numerical-basis-set linear combination of atomic orbitals method: Ni(001)

    International Nuclear Information System (INIS)

    Wang, C.S.; Freeman, A.J.

    1979-01-01

    We present the self-consistent numerical-basis-set linear combination of atomic orbitals (LCAO) discrete variational method for treating the electronic structure of thin films. As in the case of bulk solids, this method provides for thin films accurate solutions of the one-particle local density equations with a non-muffin-tin potential. Hamiltonian and overlap matrix elements are evaluated accurately by means of a three-dimensional numerical Diophantine integration scheme. Application of this method is made to the self-consistent solution of one-, three-, and five-layer Ni(001) unsupported films. The LCAO Bloch basis set consists of valence orbitals (3d, 4s, and 4p states for transition metals) orthogonalized to the frozen-core wave functions. The self-consistent potential is obtained iteratively within the superposition of overlapping spherical atomic charge density model with the atomic configurations treated as adjustable parameters. Thus the crystal Coulomb potential is constructed as a superposition of overlapping spherically symmetric atomic potentials and, correspondingly, the local density Kohn-Sham (α = 2/3) potential is determined from a superposition of atomic charge densities. At each iteration in the self-consistency procedure, the crystal charge density is evaluated using a sampling of 15 independent k points in (1/8)th of the irreducible two-dimensional Brillouin zone. The total density of states (DOS) and projected local DOS (by layer plane) are calculated using an analytic linear energy triangle method (presented as an Appendix) generalized from the tetrahedron scheme for bulk systems. Distinct differences are obtained between the surface and central plane local DOS. The central plane DOS is found to converge rapidly to the DOS of bulk paramagnetic Ni obtained by Wang and Callaway. Only a very small surplus charge (0.03 electron/atom) is found on the surface planes, in agreement with jellium model calculations

  15. Effect of spin-orbit interactions on the structural stability, thermodynamic properties, and transport properties of lead under pressure

    Science.gov (United States)

    Smirnov, N. A.

    2018-03-01

    The paper investigates the role of spin-orbit interaction in the prediction of structural stability, lattice dynamics, elasticity, thermodynamic and transport properties (electrical resistivity and thermal conductivity) of lead under pressure with the FP-LMTO (full-potential linear-muffin-tin orbital) method for the first-principles band structure calculations. Our calculations were carried out for three polymorphous lead modifications (fcc, hcp, and bcc) in generalized gradient approximation with the exchange-correlation functional PBEsol. They suggest that compared to the scalar-relativistic calculation, the account for the SO effects insignificantly influences the compressibility of Pb. At the same time, in the calculation of phonon spectra and transport properties, the role of SO interaction is important, at least, for P ≲150 GPa. At higher pressures, the contribution from SO interaction reduces but not vanishes. As for the relative structural stability, our studies show that SO effects influence weakly the pressure of the fcc →hcp transition and much higher the pressure of the hcp →bcc transition.

  16. A systematic first principle method to study magnetic properties of FeMo, CoMo and NiMo

    International Nuclear Information System (INIS)

    Bhattacharjee, Ashis Kumar; Touheed, Md.; Ahmed, Mesbahuddin; Halder, A.; Mookerjee, A.

    2003-06-01

    We use the first principle TB-LMTO (Tight-Binding Linear Muffin Tin Orbital) method combined with the ASM (Augmented Space Method) to take care of disorder beyond the mean field (CPA - Cohetent Potential Approximation) approximation. We analyze binary alloys between magnetic transition metals Fe, Co, Ni and non-magnetic Mo to find out the effect of disorder on electronic structure and consequently magnetic properties of the alloys. (author)

  17. Calculated surface-energy anomaly in the 3d metals

    DEFF Research Database (Denmark)

    Aldén, M.; Skriver, Hans Lomholt; Mirbt, S.

    1992-01-01

    Local-spin-density theory and a Green’s-function technique based on the linear muffin-tin orbitals method have been used to calculate the surface energy of the 3d metals. The theory explains the variation of the values derived from measurements of the surface tension of liquid metals including...... the pronounced anomaly occurring between vanadium and nickel in terms of a decrease in the d contribution caused by spin polarization....

  18. A computational study of pressure-induced structural transition in ThSb

    International Nuclear Information System (INIS)

    Trinadh, Ch.U.M.; Rajagopalan, M.; Natarajan, S.

    1997-01-01

    The pressure induced phase transition from NaCl-type to CsCl-type structure in ThSb was studied using total energy calculations by tight-binding linear muffin tin orbital (TBLMTO) method within atomic sphere approximation (ASA). The density of states (DOS) at ambient pressure was compared with resonant photoemission studies (PES). The variation in interatomic distances during the transition was found to be in agreement with high pressure x-ray diffraction (HPXRD) studies. (author)

  19. Eritroblastozis fetalise bağlı Blueberry muffin bulgusu

    OpenAIRE

    CANPOLAT1, Filiz; 2, Fuat Emre CANPOLAT; 3, Hasan TEZER; 1, Fatma ESK?O?LU

    2010-01-01

    ABSTRACT Blueberry Muffin sign due to erythroblastosis fetalis Blueberry muffin sign is a cutaneous manifestation characterized by widespread reddish-blue maculopapular lesions. The eruptions are often generalized but favor the trunk, head, and neck. Blueberry muffin skin lesions are manifestations of dermal haematopoiesis and are associated with both intra-uterine infections and hematological disorders with chronic and severe anaemia. TORCH (toxoplasmosis, rubella, cytomegalo-virus, he...

  20. Calculated Bulk Properties of the Actinide Metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Andersen, O. K.; Johansson, B.

    1978-01-01

    Self-consistent relativistic calculations of the electronic properties for seven actinides (Ac-Am) have been performed using the linear muffin-tin orbitals method within the atomic-sphere approximation. Exchange and correlation were included in the local spin-density scheme. The theory explains...... the variation of the atomic volume and the bulk modulus through the 5f series in terms of an increasing 5f binding up to plutonium followed by a sudden localisation (through complete spin polarisation) in americium...

  1. Impact of Quince Flour on Gluten-free Muffins Production

    Directory of Open Access Journals (Sweden)

    Adriana PAUCEAN

    2017-05-01

    Full Text Available This study aimed to obtain gluten free muffins, with increased nutritional and sensorial value by adding quince flour into a composite flour. To optimize the recipe, four experimental variants using rice, soy, quince flours and starch in different proportions have been proposed. Quince is a rich source of vitamins, minerals, polyphenolic compounds and fibres. The quince flour addition led to muffins with increased content in minerals and very good sensorial properties in terms of taste, flavour, texture and general acceptance. It could be concluded that quince flour is a suitable source for obtaining gluten free muffins. Quince flour addition in aglutenic muffin composite flour up to 10% did not affect negatively their phisico-chemical and sensorial  properties.

  2. Linear and mass attenuation coefficient for CdTe compound of X-rays from 10 to 100 keV energy range in different phases

    Energy Technology Data Exchange (ETDEWEB)

    Saim, A., E-mail: saim1989asma@gmail.com; Tebboune, A.; Berkok, H.; Belameiri, N.; Belbachir, A.H.

    2014-07-25

    The Full Potential Linear Muffin Tin Orbitals method within the density functional theory has been utilized to calculate structural and electronic properties of the CdTe compound. We have checked that the CdTe has two phase-transitions from zinc-blend to cinnabar and from cinnabar to rocksalt. We have found that the rigidity, the energy and the nature of the gap change according to the phase change, so we can predict that a CdTe detector may have different behaviors in different phase conditions. In order to investigate this behavior change, the linear and the mass attenuation coefficients of X-ray in rocksalt, zinc-blend and cinnabar structures are calculated from 10 keV to100 keV, using the XCOM data. We have found that when CdTe undergoes a phase transition from zinc-blend to cinnabar, its linear attenuation coefficient decreases down to a value of about 100 times smaller than its initial one, and when it undergoes a transition from cinnabar to rocksalt it increases up to a value about 90 times larger than its initial one.

  3. Fermi sea term in the relativistic linear muffin-tin-orbital transport theory for random alloys

    Czech Academy of Sciences Publication Activity Database

    Turek, Ilja; Kudrnovský, Josef; Drchal, Václav

    2014-01-01

    Roč. 89, č. 6 (2014), 064405 ISSN 1098-0121 R&D Projects: GA ČR(CZ) GAP204/11/1228 Institutional support: RVO:68081723 ; RVO:68378271 Keywords : electron transport * anomalous Hall effect * random alloys Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  4. Scaling of the L2,3 circular magnetic x-ray dichroism of Fe nitrides

    International Nuclear Information System (INIS)

    Alouani, M.; Wills, J.M.; Wilkins, J.W.

    1998-01-01

    We have implemented the calculation of the x-ray-absorption cross section for left- and right-circularly polarized x-ray beams within the local-density approximation by means of our all-electron full-relativistic and spin-polarized full-potential linear muffin-tin orbital method. We show that the L 2,3 circular magnetic x-ray dichroism of Fe, Fe 3 N, and Fe 4 N compounds scales to a single curve when divided by the local magnetic moment. Sum rules determine the spin and orbital magnetic moment of iron atoms in these ordered iron nitrides. copyright 1998 The American Physical Society

  5. Multiplet effects in the electronic structure of intermediate-valence compounds

    DEFF Research Database (Denmark)

    Thunström, P.; Di Marco, I.; Grechnev, A.

    2009-01-01

    We present an implementation of the Hubbard-I approximation based on the exact solution of the atomic many-body problem incorporated in a full-potential linear muffin-tin orbital method of density-functional theory. Comparison between calculated and measured x-ray photoemission spectra reveal a g...... a good agreement for intermediate valence systems in open crystal structures such as YbInCu4, SmB6, and YbB12. Spectral features of the unoccupied states of SmB6 are predicted....

  6. Stable structures for Al{sub 20} clusters

    Energy Technology Data Exchange (ETDEWEB)

    Yao Changhong [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China)]. E-mail: phych@zju.edu.cn; Song Bin [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China); Cao Peilin [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China)

    2005-06-20

    The low-lying energy structures of Al{sub 20} cluster are obtained by full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method. A set of new low-lying energy structures including a new lowest energy structure, were found in our calculation. The waist-capped double icosahedral structure, which was considered as the global minimum previously, is merely one of the low-lying structures. Comparison and discussion between Al{sub 20} and Si{sub 20} have been made.

  7. Energy band theory of heterometal superposed film and relevant comments on superconductivity in heterometal systems

    International Nuclear Information System (INIS)

    Zhang, L.; Yin, D.

    1981-08-01

    A method for calculating the electronic structure of a heterogeneous metal-metal interface is discussed. It combines a series of well-defined interface plane-wave orbitals and the muffin-tin orbitals. The problem of high-Tsub(c) superconductivity in systems containing metal-metal interfaces and the related problem in compounds is addressed

  8. Self-consistent electronic structure and segregation profiles of the Cu-Ni (001) random-alloy surface

    DEFF Research Database (Denmark)

    Ruban, Andrei; Abrikosov, I. A.; Kats, D. Ya.

    1994-01-01

    We have calculated the electronic structure and segregation profiles of the (001) surface of random Cu-Ni alloys with varying bulk concentrations by means of the coherent potential approximation and the linear muffin-tin-orbitals method. Exchange and correlation were included within the local......-density approximation. Temperature effects were accounted for by means of the cluster-variation method and, for comparison, by mean-field theory. The necessary interaction parameters were calculated by the Connolly-Williams method generalized to the case of a surface of a random alloy. We find the segregation profiles...

  9. 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...

  10. First principle study of cubic ScGaN ternaries

    International Nuclear Information System (INIS)

    Adli, W.; Mecheref, R.; Sekkal, N.; Tair, F.; Amrani, B.

    2008-08-01

    The electronic properties of the Sc x Ga1- x N ternary alloy are investigated. The transition from rocksalt (B1) to zinc blende (B3) structure is found to occur rapidly after incorporating just a small fraction (less than 1%) of Ga. In the present paper, the first principles method the full potential linear muffin-tin orbitals method (FPLMTO) in its atomic sphere approximation (ASA) coupled to the technique of the empty spheres is employed. Our results concerning the electronic properties are different from those reported in literature. (author)

  11. One-Electron Theory of Metals. Cohesive and Structural Properties

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt

    The work described in the report r.nd the 16 accompanying publications is based upon a one-electron theory obtained within the local approximation to density-functional theory, and deals with the ground state of metals as obtained from selfconsistent electronic-structure calculations performed...... by means of the Linear Muffin-Tin Orbital (LMTO) method. It has been the goal of the work to establish how well this one-electron approach describes physical properties such as the crystal structures of the transition metals, the structural phase transitions in the alkali, alkaline earth, and rare earth...

  12. Self-consistent Green’s-function technique for surfaces and interfaces

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Rosengaard, N. M.

    1991-01-01

    We have implemented an efficient self-consistent Green’s-function technique for calculating ground-state properties of surfaces and interfaces, based on the linear-muffin-tin-orbitals method within the tight-binding representation. In this approach the interlayer interaction is extremely short...... ranged, and only a few layers close to the interface need be treated self-consistently via a Dyson equation. For semi-infinite jellium, the technique gives work functions and surface energies that are in excellent agreement with earlier calculations. For the bcc(110) surface of the alkali metals, we find...

  13. α-K2AgF4: Ferromagnetism induced by the weak superexchange of different eg orbitals from the nearest neighbor Ag ions

    Science.gov (United States)

    Zhang, Xiaoli; Zhang, Guoren; Jia, Ting; Zeng, Zhi; Lin, H. Q.

    2016-05-01

    We study the abnormal ferromagnetism in α-K2AgF4, which is very similar to high-TC parent material La2CuO4 in structure. We find out that the electron correlation is very important in determining the insulating property of α-K2AgF4. The Ag(II) 4d9 in the octahedron crystal field has the t2 g 6 eg 3 electron occupation with eg x2-y2 orbital fully occupied and 3z2-r2 orbital partially occupied. The two eg orbitals are very extended indicating both of them are active in superexchange. Using the Hubbard model combined with Nth-order muffin-tin orbital (NMTO) downfolding technique, it is concluded that the exchange interaction between eg 3z2-r2 and x2-y2 from the first nearest neighbor Ag ions leads to the anomalous ferromagnetism in α-K2AgF4.

  14. α-K2AgF4: Ferromagnetism induced by the weak superexchange of different eg orbitals from the nearest neighbor Ag ions

    Directory of Open Access Journals (Sweden)

    Xiaoli Zhang

    2016-05-01

    Full Text Available We study the abnormal ferromagnetism in α-K2AgF4, which is very similar to high-TC parent material La2CuO4 in structure. We find out that the electron correlation is very important in determining the insulating property of α-K2AgF4. The Ag(II 4d9 in the octahedron crystal field has the t 2 g 6 e g 3 electron occupation with eg x2-y2 orbital fully occupied and 3z2-r2 orbital partially occupied. The two eg orbitals are very extended indicating both of them are active in superexchange. Using the Hubbard model combined with Nth-order muffin-tin orbital (NMTO downfolding technique, it is concluded that the exchange interaction between eg 3z2-r2 and x2-y2 from the first nearest neighbor Ag ions leads to the anomalous ferromagnetism in α-K2AgF4.

  15. A ''quadratized'' augmented plane wave method

    International Nuclear Information System (INIS)

    Smrcka, L.

    1982-02-01

    The exact radial solution inside the muffin-tin sphere is replaced by its Taylor expansion with respect to the energy, truncated after the quadratic term. Making use of it the energy independent augmented plane waves are formed which lead to the secular equations linear in energy. The method resembles the currently used linearized APW method but yields higher accuracy. The analysis of solution inside one muffin-tin sphere shows that the eigenvalue error is proportional to (E-E 0 ) 6 as compared with (E-E 0 ) 4 for LAPW. The error of eigenfunctions is (E-E 0 ) 3 ((E-E 0 ) 2 for LAPW). These conclusions are confirmed by direct numerical calculation of band structure of Cu and Al. (author)

  16. Ab initio pair potentials for FCC metals: An application of the method of Moebius transform

    International Nuclear Information System (INIS)

    Mookerjee, A.; Chen Nanxian; Kumar, V.; Satter, M.A.

    1991-10-01

    We use the method of Moebius transform introduced by one of us (Chen, Phys. Rev. Lett. 64, 1193 (1990)) to obtain pair potentials for fcc metals from first principles total energy calculations. The derivation is exact for radial potentials and it converges much faster than the earlier reported method of Carlsson-Gelatt-Ehrenreich. We have tested this formulation for Cu using the tight binding representation of the linear muffin tin orbital method. Our results agree with those obtained by Carlsson et al. and qualitatively with the other Morse-type pair potentials derived from effective medium theories. (author). 18 refs, 3 figs, 3 tabs

  17. Electronic structure of ordered and disordered Fe sub 3 Pt

    CERN Document Server

    Major, Z; Jarlborg, T; Bruno, E; Ginatempo, B; Staunton, J B; Poulter, J

    2003-01-01

    The electronic structure of invar alloys (i.e. materials in which the near absence of thermal expansion is observed) has been the focus of much study, owing both to the technological applications of these materials and interest in the fundamental mechanism that is responsible for the effect. Here, calculations of the magnetic Compton profiles are presented for ordered and disordered Fe sub 3 Pt alloys. Using linear muffin-tin orbital and KKR methods, the latter incorporating the coherent potential approximation to describe the substitutional disorder, the electronic band structure and measurable quantities such as the Fermi surface topology are presented.

  18. Structural and electronic properties of thallium compounds

    International Nuclear Information System (INIS)

    Paliwal, Neetu; Srivastava, Vipul

    2016-01-01

    The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA has been used to calculate structural and electronic properties of thallium pnictides TlX (X=Sb, Bi) at high pressure. As a function of volume, the total energy is evaluated. Apart from this, the lattice parameter (a_0), bulk modulus (B_0), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed metallic behaviour in TlSb and TlBi compounds. The values of equilibrium lattice constants and bulk modulus are agreed well with the available data.

  19. Structural and electronic properties of thallium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Paliwal, Neetu, E-mail: neetumanish@gmail.com [Department of Physics, AISECT University Bhopal, 464993 (India); Srivastava, Vipul [Department of Engineering Physics, NRI Institute of Research & Technology, Raisen Road, Bhopal, 462021 (India)

    2016-05-06

    The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA has been used to calculate structural and electronic properties of thallium pnictides TlX (X=Sb, Bi) at high pressure. As a function of volume, the total energy is evaluated. Apart from this, the lattice parameter (a{sub 0}), bulk modulus (B{sub 0}), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed metallic behaviour in TlSb and TlBi compounds. The values of equilibrium lattice constants and bulk modulus are agreed well with the available data.

  20. Electronic and geometric structures of Ge{sub n}{sup -} and Ge{sub n}{sup +} (n=5-10) clusters in comparison with corresponding Si{sub n} ions

    Energy Technology Data Exchange (ETDEWEB)

    Li Baoxing; Cao Peilin; Song Bin; Ye Zhezhen

    2003-02-10

    Using full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method, we have studied the geometric and electronic structures of ionic Ge{sub 5-10} clusters. Our calculations show that the ground state structures of some Ge cluster ions are different from those of their corresponding neutral Ge clusters. Furthermore, the positive Ge ions have more severe structural distortion than the negative Ge ions due to Jahn-Teller distortion. In addition, there are differences between the ground state structures of Ge ions and Si ions, although most of the Ge ions have similar geometrical configurations to their corresponding Si ions.

  1. The structures of P{sub 8} and P{sub 9} clusters

    Energy Technology Data Exchange (ETDEWEB)

    Song Bin; Cao Peilin; Zhao Wei; Li Baoxing [Zhejiang Univ., Hangzhou, ZJ (China). Dept. of Physics

    2001-08-01

    Full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO MD) calculations have been performed to investigate the structures and energies of P{sub 8} and P{sub 9} clusters. We get fourteen stable structures for P{sub 8} and fifteen stable structures for P{sub 9}. The results confirm that ''cuneane'' structure is the most stable isomer of P{sub 8} clusters. However, the distortion of a D{sub 3h} prism, which has not been reported so far, is the most stable among the fifteen P{sub 9} isomers. (orig.)

  2. Electronic structure of the actinide-Rh3 systems and the 5f localization in UPd3

    DEFF Research Database (Denmark)

    Eriksson, Olle; Johansson, Börje; Brooks, M. S. S.

    1989-01-01

    We present electronic-structure calculations for the isostructural (AuCu3-structure) series of intermetallic compounds ARh3 (A=Ac, Th, Pa, U, Np, Pu, Am, and Cm). The calculations were performed using both the scalar relativistic and the fully relativistic linear muffin-tin orbital (LMTO) method........ The localization of the 5f electrons in UPd3 as opposed to the itinerant 5f behavior for the earlier compounds (UMo3, UTc3 , URu3, and URh3) is explained in terms of the variation of the hybridization between 5f and ligand 4d states through the series....

  3. Probing the CuO planes with positrons in high Tc cuprates: theoretical predictions

    International Nuclear Information System (INIS)

    Barbiellini, B.; Jarlborg, T.; Massidda, S.; Peter, M.

    1995-01-01

    Positron annihilation spectroscopy is a useful tool to investigate the Fermi surface in high T c superconductors. To study the physics of the copper-oxygen subsystem that forms the Cu-O layers, it is important to provide theoretical predictions, on materials where there is a large overlap between the positron and the interesting Cu-O planes. We have performed first-principle electronic structure calculations obtained using the linear muffin-tin orbital and the full-potential linearized augmented plane wave methods. The positron charge distributions and their sensitivity to different potentials are calculated. Secondly, we have computed the annihilation rates and the electron-positron momentum density in order to give predictions of the Fermi surface signals. (orig.)

  4. A mm-wave planar microcavity structure for electron linear accelerator system

    International Nuclear Information System (INIS)

    Kang, Y.W.; Kustom, R.; Mills, F.; Mavrogenes, G.; Henke, H.

    1993-01-01

    The muffin-tin cavity structure is planar and well suited for mm-wave accelerator with silicon etching techniques. A constant impedance traveling-wave structure is considered for design simplicity. The RF parameters are calculated and the shunt impedance is compared with the shunt impedance of a disk loaded cylindrical structure

  5. Total antioxidant capacity and starch digestibility of muffins baked with rice, wheat, oat, corn and barley flour.

    Science.gov (United States)

    Soong, Yean Yean; Tan, Seow Peng; Leong, Lai Peng; Henry, Jeya Kumar

    2014-12-01

    Muffins are a popular snack consumed in western and emerging countries. Increased glycemic load has been implicated in the aetiology of diabetes. This study examined the starch digestibility of muffins baked with rice, wheat, corn, oat and barley flour. Rapidly digested starch (RDS) was greatest in rice (445 mg/g) and wheat (444 mg/g) muffins, followed by oat (416 mg/g), corn (402 mg/g) and barley (387 mg/g). Total phenolic content was found to be positively correlated with total antioxidative capacity and inversely related to the RDS of muffins. The phenolic content was highest in muffin baked with barley flour (1,687 μg/g), followed by corn (1,454 μg/g), oat (945 μg/g), wheat (705 μg/g), and rice (675 μg/g) flour. Browning was shown not to correlate with free radical scavenging capacity and digestibility of muffins. The presence of high phenolic content and low RDS makes barley muffin an ideal snack to modulate glycemic response. Copyright © 2014 Elsevier Ltd. All rights reserved.

  6. Muffins Elaborated with Optimized Monoglycerides Oleogels: From Solid Fat Replacer Obtention to Product Quality Evaluation.

    Science.gov (United States)

    Giacomozzi, Anabella S; Carrín, María E; Palla, Camila A

    2018-05-22

    This study demonstrates the effectiveness of using oleogels from high oleic sunflower oil (HOSO) and monoglycerides as solid fat replacers in a sweet bakery product. Firstly, a methodology to obtain oleogels with desired properties based on mathematical models able to describe relationships between process and product characteristics variables followed by multi-objective optimization was applied. Later, muffins were prepared with the optimized oleogels and their physicochemical and textural properties were compared with those of muffins formulated using a commercial margarine (Control) or only HOSO. Furthermore, the amount of oil released from muffins over time (1, 7, and 10 days) was measured to evaluate their stability. The replacement of commercial margarine with the optimized oleogels in muffin formulation led to the obtention of products with greater spreadability, higher specific volume, similar hardness values, and a more connected and homogeneous crumb structure. Moreover, these products showed a reduction of oil migration of around 50% in contrast to the Control muffins after 10 days of storage, which indicated that the optimized oleogels can be used satisfactorily to decrease oil loss in this sweet baked product. Fat replacement with the optimized monoglycerides oleogels not only had a positive impact on the quality of the muffins, but also allowed to improve their nutritional profile (without trans fat and low in saturated fat). The food industry demands new ways to reduce the use of saturated and trans fats in food formulations. To contribute to this search, oleogels from high oleic sunflower oil and saturated monoglycerides were prepared under optimized conditions in order to obtain a product with similar functionality to margarine, and its potential application as a semisolid fat ingredient in muffins was evaluated. Muffins formulated with oleogels showed an improved quality compare with those obtained using a commercial margarine with the added

  7. ARPES and NMTO Wannier Orbital Theory of Li{sub 0.9}Mo{sub 6}O{sub 17}

    Energy Technology Data Exchange (ETDEWEB)

    Dudy, L. [Physikalisches Institut, Universitaet Wuerzburg, D- 97074 Wuerzburg (Germany); Allen, J.W. [University of Michigan, Ann Arbor, MI (United States); Denlinger, J.D. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA (United States); He, J. [Clemson University, Clemson, SC (United States); Greenblatt, M. [Rutgers University, Piscataway, NJ (United States); Haverkort, M.W. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Andersen, O.K.; Nohara, Y. [Max-Planck-Institut fuer Festkoerperphysik, Stuttgart (Germany)

    2015-07-01

    Li{sub 0.9}Mo{sub 6}O{sub 17} displays theoretically interesting metallic quasi-one dimensional (1D) behavior that is unusually robust against 3D crossover with decreasing temperature, and is characterized by a large value of anomalous exponent α∼ 0.6. We present very high resolution, low temperature (T=6K-30K) angle resolved photoemission spectroscopy (ARPES) of its band structure and Fermi surface (FS), analyzed with N-th order muffin tin orbital (NMTO) Wannier function band theory. We confirm a previous conclusion that LDA band theory is unusually successful, implying a small Hubbard U, and find in ARPES the dispersion and FS warping and splitting expected for predicted small and long range hoppings (t {sub perpendicular} {sub to} ∼ 10-15 meV) between chains.

  8. Validation of the baking process as a kill-step for controlling Salmonella in muffins.

    Science.gov (United States)

    Channaiah, Lakshmikantha H; Michael, Minto; Acuff, Jennifer C; Phebus, Randall K; Thippareddi, Harshavardhan; Olewnik, Maureen; Milliken, George

    2017-06-05

    This research investigates the potential risk of Salmonella in muffins when contamination is introduced via flour, the main ingredient. Flour was inoculated with a 3-strain cocktail of Salmonella serovars (Newport, Typhimurium, and Senftenberg) and re-dried to achieve a target concentration of ~8logCFU/g. The inoculated flour was then used to prepare muffin batter following a standard commercial recipe. The survival of Salmonella during and after baking at 190.6°C for 21min was analyzed by plating samples on selective and injury-recovery media at regular intervals. The thermal inactivation parameters (D and z values) of the 3-strain Salmonella cocktail were determined. A ≥5logCFU/g reduction in Salmonella population was demonstrated by 17min of baking, and a 6.1logCFU/g reduction in Salmonella population by 21min of baking. The D-values of Salmonella serovar cocktail in muffin batter were 62.2±3.0, 40.1±0.9 and 16.5±1.7min at 55, 58 and 61°C, respectively; and the z-value was 10.4±0.6°C. The water activity (a w ) of the muffin crumb (0.928) after baking and 30min of cooling was similar to that of pre-baked muffin batter, whereas the a w of the muffin crust decreased to (0.700). This study validates a typical commercial muffin baking process utilizing an oven temperature of 190.6°C for at least 17min as an effective kill-step in reducing a Salmonella serovar population by ≥5logCFU/g. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

  9. Structural and electronic properties of GaAsBi

    International Nuclear Information System (INIS)

    Achour, H.; Louhibi, S.; Amrani, B.; Tebboune, A.; Sekkal, N.

    2008-05-01

    The structural and electronic properties of the GaAs 1-x Bi x ternary alloy are investigated by means of two first principles and full potential methods, the linear augmented plane waves (FPLAPW) method and a recent version of the full potential linear muffin-tin orbitals method (FPLMTO) which enables an accurate treatment of the interstitial regions. In particular, we have found that the maximal GaBi mole fraction x for which GaBixAs 1-x remains a semiconductor is probably around x = 0.5. The electronic properties of (GaAs) m /(GaBi) n quantum well superlattices (SLs) have also been calculated and it is found that such SLs are semiconductors when m is larger or equal to n. (author)

  10. Geometric and electronic structures of small GaN clusters

    Energy Technology Data Exchange (ETDEWEB)

    Song Bin; Cao Peilin

    2004-08-02

    The geometric and electronic structures of Ga{sub x}N{sub y} (x+y{<=}8) clusters have been calculated using a full-potential linear-muffin-tin-orbital method, combined with molecular dynamics and simulated annealing techniques. It is found that the structures, binding energies and HOMO-LUMO gaps of these clusters strongly depend on their size and composition. The lowest energy structures of these clusters are obtained, and the trends in the geometries are discussed. The binding energy of the cluster increases as the size of cluster increases. N-rich cluster has larger binding energy than Ga-rich ones. The HOMO-LUMO gaps of these clusters are evaluated.

  11. First-Principle Calculations for Thermodynamic Properties of LiBC Under High Temperature and High Pressure

    Institute of Scientific and Technical Information of China (English)

    LIU Zhong-Li; CHENG Yan; TAN Ni-Na; GOU Qing-Quan

    2006-01-01

    The thermodynamic properties of LiBC are investigated by using the full-potential linearized muffin-tin orbital method (FP-LMTO) within the frame of density functional theory (DFT) and using the quasi-harmonic Debye model. The dependencies of the normalized lattice parameters a/a0 and c/c0, the ratio (c/a)/2, the normalized primitive volume V/V0 on pressure and temperature are successfully obtained. It is found that the interlayer covalent interactions (Li-B bonds or Li-C bonds) are more sensitive to temperature and pressure than intralayer ones (B-C bonds), as gives rise to the extreme lattice anisotropy in the bulk hcp LiBC.

  12. Fourier transform of momentum distribution in vanadium

    International Nuclear Information System (INIS)

    Singh, A.K.; Manuel, A.A.; Peter, M.; Singru, R.M.

    1985-01-01

    Experimental Compton profile and 2D-angular correlation of positron annihilation radiation data from vanadium are analyzed by the mean of their Fourier transform. They are compared with the functions calculated with the help of both the linear muffin-tin orbital and the Hubbard-Mijnarends band structure methods. The results show that the functions are influenced by the positron wave function, by the e + -e - many-body correlations and by the differences in the electron wave functions used for the band structure calculations. It is concluded that Fourier analysis is a sensitive approach to investigate the momentum distributions in transition metals and to understnad the effects of the positron. (Auth.)

  13. Glycemic potency of muffins made with wheat, rice, corn, oat and barley flours: a comparative study between in vivo and in vitro.

    Science.gov (United States)

    Soong, Yean Yean; Quek, Rina Yu Chin; Henry, Christiani Jeyakumar

    2015-12-01

    Muffins made with wheat flour are a popular snack consumed in western and emerging countries. This study aimed to examine the content of amylose, glycemic response (GR) and glycemic index (GI) of muffins baked with refined wheat and rice flours, as well as wholegrain corn, oat and barley flours. This study adopted a randomized, controlled, crossover, non-blind design. Twelve healthy participants consumed wheat, rice, corn, oat and barley muffins once and the reference glucose solution three times in a random order on non-consecutive day. Capillary blood samples were taken every 15 min in the first 60 min and every 30 min for the remaining 60 min for blood glucose analysis. The Megazyme amylose/amylopectin assay procedure was employed to measure amylose content. The GR elicited from the consumption of wheat, rice and corn muffins was comparable between these samples but significantly greater when compared with oat and barley muffins. Consumption of wholegrain muffins, apart from corn muffin, blunted postprandial GR when compared with muffins baked with refined cereal flours. Muffins baked with wheat, rice, corn, oat and barley flours gave rise to GI values of 74, 79, 74, 53 and 55, respectively. The content of amylose was significantly higher in corn, oat and barley muffins than wheat and rice muffins. The greater content of amylose and fibre may play a part in the reduced glycemic potency of oat and barley muffins. Wheat flour can be substituted with oat and barley flours for healthier muffins and other bakery products.

  14. Linear Magnetoelectric Effect by Orbital Magnetism

    NARCIS (Netherlands)

    Scaramucci, A.; Bousquet, E.; Fechner, M.; Mostovoy, M.; Spaldin, N. A.

    2012-01-01

    We use symmetry analysis and first-principles calculations to show that the linear magnetoelectric effect can originate from the response of orbital magnetic moments to the polar distortions induced by an applied electric field. Using LiFePO4 as a model compound we show that spin-orbit coupling

  15. Application of Plackett-Burman experimental design in the development of muffin using adlay flour

    Science.gov (United States)

    Valmorida, J. S.; Castillo-Israel, K. A. T.

    2018-01-01

    The application of Plackett-Burman experimental design was made to identify significant formulation and process variables in the development of muffin using adlay flour. Out of the seven screened variables, levels of sugar, levels of butter and baking temperature had the most significant influence on the product model in terms of physicochemical and sensory acceptability. Results of the experiment further demonstrate the effectiveness of Plackett-Burman design in choosing the best adlay variety for muffin production. Hence, the statistical method used in the study permits an efficient selection of important variables needed in the development of muffin from adlay which can be optimized using response surface methodology.

  16. Electronic structure of Chevrel-phase high-critical-field superconductors

    DEFF Research Database (Denmark)

    Andersen, Ole Krogh; Klose, W.; Nohl, H.

    1978-01-01

    Using muffin-tin orbitals and the atomic-sphere approximation, we have studied the band structures of Chevrel-phase molybdenum chalcogenides, MmMo6X8-x. Generally, these compounds exist for a broad variety of elements, M=Pb,Sn,Ag,Cu and X=S,Se,Te. m may be between 0 and 2, depending on the elemen...

  17. Electronic structure and magnetic properties of Pd sub(3)Fe

    International Nuclear Information System (INIS)

    Kuhnen, C.A.

    1988-01-01

    In this work we study the electronic and magnetic properties of the Pd sub(3)Fe alloy. For the ordered phase of Pd sub(3)Fe we employed the Linear Muffin-Tin Orbitals Method, with the atomic sphere approximation, which is a first principles method and includes spin polarization. The theoretical results for the thermal and magnetic properties show good agreement with experience. Here we explain the formation of the localized magnetic moments from completely itinerant electrons. We investigate the influence of the hydrogen in the physical properties of the compound Pd sub(3)Fe, where we obtain a drastic reduction in the magnetic moments at the Pd and Fe sites. This reduction is confirmed by experience. The self consistent potentials of the Pd sub(3)Fe compound were used for an analysis of the influence of the disorder in the electronic structure of Pd sub(3)Fe alloy. To this end, we employ a spin polarized version of the Green's Function Method with the Coherent Potential Approximation (or KKR-CPA). The results obtained show that in random ferromagnetic alloys different degrees of disorder occurs for the different spin directions. The formation of the magnetic moments in these alloys were explained from the existence of 'virtual crystal' states for spin up electrons and 'split band' states for spin down electrons. Finally we employ the muffin-tin orbitals to calculate the X-ray photoemission spectra of the Pd sub(3)Fe and Pd sub(3)FeH compounds, which allows us a direct comparison between theory and experiment. (author)

  18. Spin injection and filtering in halfmetal/semiconductor (CrAs/GaAs) heterostructures

    International Nuclear Information System (INIS)

    Stickler, B. A.; Ertler, C.; Pötz, W.; Chioncel, L.; Arrigoni, E.

    2013-01-01

    Theoretical investigations of spin-dependent transport in GaAS/CrAs/GaAs halfmetal-semiconductor heterostructures indicate that this system is a candidate for an efficient room temperature spin injector and filter. The spin dependent electronic structure of zincblende CrAs and the band offset between GaAs and CrAs are determined by ab-initio calculations within the method of linear muffin tin orbitals (LMTO). This band structure is mapped onto an effective sp 3 d 5 s* nearest neighbor tight-binding (TB) Hamiltonian and the steady-state transport characteristic is calculated within a non-equilibrium Green’s function approach. Even at room temperature we find current spin polarizations up to 97%

  19. Generalized augmented space theorem for correlated disorder and cluster coherent potential approximation

    International Nuclear Information System (INIS)

    Mookerjee, A.; Prasad, R.

    1993-09-01

    We present a method for calculating the electronic structure of disordered alloys with short range order (SRO) which guarantees positive density of states for all values of the SRO parameter. The method is based on the generalized augmented space theorem which is valid for alloys with SRO. This theorem is applied to alloys with SRO in the tight-binding linear muffin-tin orbital (TB-LMTO) framework. This is done by using the augmented space formulation of Mookerjee and cluster coherent potential approximation. As an illustration, the method is applied to a single band mode TB-LMTO Hamiltonian. We find that the SRO can induce substantial changes in the density of states. (author). 22 refs, 2 figs

  20. Electronic topological transitions in Zn under compression

    Science.gov (United States)

    Kechin, Vladimir V.

    2001-01-01

    The electronic structure of hcp Zn under pressure up to 10 GPa has been calculated self-consistently by means of the scalar relativistic tight-binding linear muffin-tin orbital method. The calculations show that three electronic topological transitions (ETT's) occur in Zn when the c/a axial ratio diminishes under compression. One transition occurs at c/a~=1.82 when the ``needles'' appear around the symmetry point K of the Brillouin zone. The other two transitions occur at c/a~=3, when the ``butterfly'' and ``cigar'' appear simultaneously both around the L point. It has been shown that these ETT's are responsible for a number of anomalies observed in Zn at compression.

  1. Half-metallic ferromagnetism in nitrogen - doped ionic insulator (Li2O): a DFT study

    International Nuclear Information System (INIS)

    Eithiraj, R.D.; Kalpana, G.

    2010-01-01

    The tight binding linear muffin-tin orbital (TB-LMTO) method, is used to study the electronic structure and magnetism in nitrogen - doped Li 2 O (antifluorite - CaF 2 structure). Total energy calculations show that the antifluorite ferromagnetic state is more stable than the antifluorite non-magnetic state at equilibrium volume. Ground state properties such as equilibrium lattice constant and bulk modulus were calculated. The calculations reveal that non-magnetic impurities can induce stable half-metallic ferromagnetic ground state in Li 2 O. The magnetic moment of nitrogen doped Li 2 O can be tuned over a range between 1.00 μ B and 3.00 μ B by changing the concentration of nitrogen from 25% to 75%. (author)

  2. Electronic structure of spin systems

    Energy Technology Data Exchange (ETDEWEB)

    Saha-Dasgupta, Tanusri

    2016-04-15

    Highlights: • We review the theoretical modeling of quantum spin systems. • We apply the Nth order muffin-tin orbital electronic structure method. • The method shows the importance of chemistry in the modeling. • CuTe{sub 2}O{sub 5} showed a 2-dimensional coupled spin dimer behavior. • Ti substituted Zn{sub 2}VO(PO{sub 4}){sub 2} showed spin gap behavior. - Abstract: Low-dimensional quantum spin systems, characterized by their unconventional magnetic properties, have attracted much attention. Synthesis of materials appropriate to various classes within these systems has made this field very attractive and a site of many activities. The experimental results like susceptibility data are fitted with the theoretical model to derive the underlying spin Hamiltonian. However, often such a fitting procedure which requires correct guess of the assumed spin Hamiltonian leads to ambiguity in deciding the representative model. In this review article, we will describe how electronic structure calculation within the framework of Nth order muffin-tin orbital (NMTO) based Wannier function technique can be utilized to identify the underlying spin model for a large number of such compounds. We will show examples from compounds belonging to vanadates and cuprates.

  3. Comparative study of electronic structure and charge transport in isostructural cuprates YBa2Cu3O7 and PrBa2Cu3O7

    International Nuclear Information System (INIS)

    Kormilets, V.I.

    1997-01-01

    The self-consistent calculations of electronic structure and charge distribution in YBa 2 Cu 3 O 7 and PrBa 2 Cu 3 O 7 crystals were performed by the method of linear muffin-tin orbitals with full potentials (FP-LMTO). It is revealed that the substitution of Pr for Y results in the charge transfer from a CuO chain to a CuO 2 plane. In its turn, this results in partial innihilation of holes responsible for superconductivity. The effect is analogous to that arisen from the removal of oxygen atoms from CuO chains. It is shown that the degree of covalence of 1-2-3 compounds being considered constitutes and essential value and decreases with pr substitution for Y

  4. The calculation of the electron structure and optical properties of TiNi martensite

    International Nuclear Information System (INIS)

    Kul'kova, S.E.; Beketov, K.A.; Egorushkin, V.E.; Muryzhnikova, O.N.

    1995-01-01

    The self-consistent calculation of NiTi B2 and B19' phases have been performed by the linear muffin-tin orbital method in atomic sphere approximation (LMTO-ASA). Two approaches for calculation of B2-phase band structure have been used and the essential differences in the Fermi surface have been pointed out. The alterations of NiTi electron characteristics at the martensitic transition have been analyzed. The optical spectra and their peculiarities in B2 and monoclinic B19' phases have been discussed. In the frames of first principles method electron-positron annihilation characteristics in B2-NiTi have been investigated too. It was shown that a rather satisfactory agreement with experimental results for NiTi was achieved. (orig.)

  5. First-principles real-space tight-binding LMTO calculation of electronic structures for atomic clusters

    International Nuclear Information System (INIS)

    Xie, Z.L.; Dy, K.S.; Wu, S.Y.

    1997-01-01

    A real-space scheme has been developed for a first-principles calculation of electronic structures and total energies of atomic clusters. The scheme is based on the combination of the tight-binding linear muffin-tin orbital (TBLMTO) method and the method of real-space Green close-quote s function. With this approach, the local electronic density of states can be conveniently determined from the real-space Green close-quote s function. Furthermore, the full electron density of a cluster can be directly calculated in real space. The scheme has been shown to be very efficient due to the incorporation of the method of real-space Green close-quote s function and Delley close-quote s method of evaluating multicenter integrals. copyright 1996 The American Physical Society

  6. Modified Starch of Sorghum Mutant Line Zh-30 for High Fiber Muffin Products

    Directory of Open Access Journals (Sweden)

    D.D.S. Santosa

    2009-01-01

    Full Text Available Sorghum mutant line Zh-30 is a breeding line developed at the Center for the Application of Isotope and Radiation Technology, BATAN by using mutation techniques. Gamma irradiation with the dose of 300 Gy was used to induce sorghum genetic variation. Through selection processes in several generations, the mutant line Zh-30 was identified to have better agronomic characteristics, better grain quality and higher grain yield than the original variety. Research on modified starch quality of this mutant line was done to identify its potential use in food industry. Functionality of pregelatinized, hydroxypropyl and crosslinked starch of this mutant line (Mutant TexInstant 30 has been studied for its use in high fiber muffin products. Characteristics of high fiber muffins containing 1.50; 3.50 and 5.50% of Mutant Tex-Instant 30 replacement levels to wheat flour were evaluated using both sensory panel and physical test methods. With regard to the sensory parameters, the high fiber muffins containing 1.50 - 5.50 % Mutant Tex-Instant 30 in general were not significantly different compared to the standard reference muffin. Results of physical evaluations showed that all Mutant Tex-Instant 30 containing products retained more moisture during baking than the standard reference. Tenderness of all products decreased at similar rate following 24 and 48 hr of room temperature storage and seven days at freezer temperature. These results suggested that sorghum mutant line Zh-30 starch could be modified and potentially used in food industry as a subtitute of wheat flour.

  7. Modified Starch of Sorghum Mutant Line Zh-30 For High Fiber Muffin Products

    International Nuclear Information System (INIS)

    Santosa, D. D. S; Human, S

    2009-01-01

    Sorghum mutant line Zh-30 is a breeding line developed at the Center for the Application of Isotope and Radiation Technology, BATAN by using mutation techniques. Gamma irradiation with the dose of 300 Gy was used to induce sorghum genetic variation. Through selection processes in several generations, the mutant line Zh-30 was identified to have better agronomic characteristics, better grain quality and higher grain yield than the original variety. Research on modified starch quality of this mutant line was done to identify its potential use in food industry. Functionality of pregelatinized, hydroxypropyl and crosslinked starch of this mutant line (Mutant TexInstant 30) has been studied for its use in high fiber muffin products. Characteristics of high fiber muffins containing 1.50; 3.50 and 5.50% of Mutant Tex-Instant 30 replacement levels to wheat flour were evaluated using both sensory panel and physical test methods. With regard to the sensory parameters, the high fiber muffins containing 1.50 - 5.50 % Mutant Tex-Instant 30 in general were not significantly different compared to the standard reference muffin. Results of physical evaluations showed that all Mutant Tex-Instant 30 containing products retained more moisture during baking than the standard reference. Tenderness of all products decreased at similar rate following 24 and 48 hr of room temperature storage and seven days at freezer temperature. These results suggested that sorghum mutant line Zh-30 starch could be modified and potentially used in food industry as a subtitute of wheat flour (author)

  8. Development of a new recipe muffins increased nutritional value

    Directory of Open Access Journals (Sweden)

    E. I. Ponomareva

    2017-01-01

    Full Text Available In the technology of flour confectionery products non-traditional types of plant raw materials can be used. Introduction of muffins of pumpkin and flour from whole wheat seeds, rich in vitamins and microelements, will enrich muffins with useful substances and increase their nutritional value. The purpose work was to study the technological properties of enrichers, their chemical composition, as well as to study the efficiency of using pumpkin pulp in the recipes of cupcakes and to identify its rational dosage. In this work, conventional methods of investigating the properties of finished products have been used. The object of study were ready-made muffins with different dosages of pumpkin pulp. The rational dosage was established by examining organoleptic (taste, smell, surface, fracture appearance, structure and form and physicochemical parameters (moisture mass fraction, density, specific volume and alkalinity. The result of this work is the development of a new recipe and production technology for the cake "Ilya Muromets" with the addition of 50% pumpkin pulp to the mass of flour. The addition of the enrichant in the formulation contributed to an increase in the density of the product by 21%, a decrease in the specific volume by 16.7%. Calculation of the nutritional value of the developed product showed that due to the rich chemical and vitamin composition of the pumpkin pulp, the consumption of 100 g of cake will provide a degree of satisfaction of the daily protein requirements by 6.9%, fat 16.2%, carbohydrates – 9.2%, dietary fiber 7.2%. With the help of the received data it is possible to characterize the "Ilya Muromets" cake as a product of increased nutritional value for preventive and functional nutrition that will allow expanding the assortment of products on the bakery market.

  9. Blueberry muffin syndrome | Benmiloud | Pan African Medical Journal

    African Journals Online (AJOL)

    Le Blueberry Muffin Baby est un syndrome cutané rare observé en période néonatale. Il est caractérisé par des papulo-nodules disséminés inflammatoires traduisant des réactions d'hématopoïèse dermique. Plusieurs causes doivent être recherchées, notamment les infections congénitales, une hémolyse sévère et les ...

  10. Band-Structure of Thallium by the LMTO Method

    DEFF Research Database (Denmark)

    Holtham, P. M.; Jan, J. P.; Skriver, Hans Lomholt

    1977-01-01

    by an energy gap. The 6d and 7s bands were found to be far above the Fermi level and the 5d states were found to be far below it. Fermi surface properties and the electronic specific heat are computed and compared with experiment. The joint density of states has also been computed and is in reasonable...... and p bands for the HCP structure. Energy bands have been evaluated both with and without spin-orbit coupling which is particularly large in thallium. Energy bands close to the Fermi level were found to be mainly 6p like in character. The 6s states lay below the 6p bands and were separated from them......The relativistic band structure of thallium has been calculated using the linear muffin-tin orbital (LMTO) method. The positions and extents of the bands were found to follow the Wigner-Seitz rule approximately, and the origin of the dispersion of the bands was established from the canonical s...

  11. Theoretical study of structures of Ga5N5 cluster

    International Nuclear Information System (INIS)

    Song Bin; Cao Peilin

    2002-01-01

    The structures and energies of a Ga 5 N 5 cluster have been calculated using a full-potential linear-muffin-tin-orbital (FP-LMTO) method, combined with molecular dynamics technique. Twenty-four structures for a Ga 5 N 5 cluster have been obtained. The most stable structure is a C 1 planar structure with a N 3 subunit. The Ga 5 N 5 clusters show a preference for a N 3 subunit, revealing the same behavior as in the Ga 3 N 3 and Ga 4 N 4 clusters. The existence of strong N-N bonds dominates the structure of a Ga 5 N 5 cluster. Through the calculation of the density of states we found that the most stable structure of Ga 5 N 5 clusters presented semiconductor-like properties

  12. One-electron theory of metals

    International Nuclear Information System (INIS)

    Skriver, H.L.

    1984-12-01

    The work described in the report and the 16 accompanying publications is based upon a one-electron theory obtained within the local approximation to density-functional theory, and deals with the ground state of metals as obtained from self-consistent electronic-structure calculations performed by means of the Linear Muffin-Tin Orbital (LMTO) method. It has been the goal of the work to establish how well this one-electron approach describes physical properties such as the crystal structures of the transition metals, the structural phase transitions in the alkali, alkaline earth, and rare earth metals, and the localization of 3d, 4f, and 5f electrons in the 3d metal monoxides, the light lanthanides, and the actinides, respectively, as well as the cohesive properties of metals in general. (orig.)

  13. Ground state searches in fcc intermetallics

    International Nuclear Information System (INIS)

    Wolverton, C.; de Fontaine, D.; Ceder, G.; Dreysse, H.

    1991-12-01

    A cluster expansion is used to predict the fcc ground states, i.e., the stable phases at zero Kelvin as a function of composition, for alloy systems. The intermetallic structures are not assumed, but derived regorously by minimizing the configurational energy subject to linear constraints. This ground state search includes pair and multiplet interactions which spatially extend to fourth nearest neighbor. A large number of these concentration-independent interactions are computed by the method of direct configurational averaging using a linearized-muffin-tin orbital Hamiltonian cast into tight binding form (TB-LMTO). The interactions, derived without the use of any adjustable or experimentally obtained parameters, are compared to those calculated via the generalized perturbation method extention of the coherent potential approximation within the context of a KKR Hamiltonian (KKR-CPA-GPM). Agreement with the KKR-CPA-GPM results is quite excellent, as is the comparison of the ground state results with the fcc-based portions of the experimentally-determined phase diagrams under consideration

  14. Introduction to First-Principles Electronic Structure Methods: Application to Actinide Materials

    International Nuclear Information System (INIS)

    Klepeis, J E

    2006-01-01

    This paper provides an introduction for non-experts to first-principles electronic structure methods that are widely used in condensed-matter physics. Particular emphasis is placed on giving the appropriate background information needed to better appreciate the use of these methods to study actinide and other materials. Specifically, I describe the underlying theory sufficiently to enable an understanding of the relative strengths and weaknesses of the methods. I also explain the meaning of commonly used terminology, including density functional theory (DFT), local density approximation (LDA), and generalized gradient approximation (GGA), as well as linear muffin-tin orbital (LMTO), linear augmented plane wave (LAPW), and pseudopotential methods. I also briefly discuss methodologies that extend the basic theory to address specific limitations. Finally, I describe a few illustrative applications, including quantum molecular dynamics (QMD) simulations and studies of surfaces, impurities, and defects. I conclude by addressing the current controversy regarding magnetic calculations for actinide materials

  15. Structural and electronic properties of ScxAl1−xN: First principles study

    International Nuclear Information System (INIS)

    Berkok, Houria; Tebboune, Abdelghani; Saim, Asmaa; Belbachir, Ahmed H

    2013-01-01

    The structural and electronic properties of Sc x Al 1−x N ternary semiconductor alloys are investigated in the rocksalt, zinc blend and wurtzite structures using the full potential linear muffin tin orbitals (FP-LMTO) method. The local density approximation (LDA) was used for the exchange and correlation energy density functional. In particular, the lattice constant, bulk modulus and band gap energies of ScN and AlN compounds and their ternary alloys Sc x Al 1−x N are calculated in rocksalt, zinc blend and wurtzite structures and discussed. A linear relationship has obtained for equilibrium lattice constants versus Sc concentration for rocksalt and zinc blend structures. The band gap is decreased with the increasing of Sc concentration in the rocksalt phase. For ZB-Sc x Al 1−x N, the band gap is the largest one at x=0.25 and changes from indirect to direct when x is more than 0.25

  16. Full charge-density calculation of the surface energy of metals

    DEFF Research Database (Denmark)

    Vitos, Levente; Kollár, J..; Skriver, Hans Lomholt

    1994-01-01

    of a spherically symmetrized charge density, while the Coulomb and exchange-correlation contributions are calculated by means of the complete, nonspherically symmetric charge density within nonoverlapping, space-filling Wigner-Seitz cells. The functional is used to assess the convergence and the accuracy......We have calculated the surface energy and the work function of the 4d metals by means of an energy functional based on a self-consistent, spherically symmetric atomic-sphere potential. In this approach the kinetic energy is calculated completely within the atomic-sphere approximation (ASA) by means...... of the linear-muffin-tin-orbitals (LMTO) method and the ASA in surface calculations. We find that the full charge-density functional improves the agreement with recent full-potential LMTO calculations to a level where the average deviation in surface energy over the 4d series is down to 10%....

  17. Theoretical study of the structure of a Ga{sub 6}N{sub 6} cluster

    Energy Technology Data Exchange (ETDEWEB)

    Song Bin; Cao Peilin; Li Baoxing

    2003-08-25

    The structures and energies of a Ga{sub 6}N{sub 6} cluster have been calculated using a full-potential linear-muffin-tin-orbital (FP-LMTO) method, combined with molecular dynamics and simulated annealing techniques. We obtained 19 structures for a Ga{sub 6}N{sub 6} cluster. The most stable structure we obtained is a C{sub s} three-dimensional structure with a N{sub 2} and N{sub 3} subunits. The calculated results show that the existence of strong N-N bonds still dominates the structure of a Ga{sub 6}N{sub 6} cluster, supporting the previous result made by Kandalam et al. [J. Phys. Chem. B 106 (2002) 1945]. Through the calculation of the density of states we found that the most stable structure of Ga{sub 6}N{sub 6} clusters presented semiconductor-like properties.

  18. Electronic structure, superconductivity, and spin fluctuations in the A15 compounds A3B: A = V, Nb; B = Ir,Pt,Au

    International Nuclear Information System (INIS)

    Jarlborg, T.; Junod, A.; Peter, M.

    1983-01-01

    The electronic structure of six A15 compounds V 3 Ir, V 3 Pt, V 3 Au, Nb 3 Ir, Nb 3 Pt, and Nb 3 Au has been determined by means of self-consistent semirelativistic linear muffin-tin orbital band calculations. Parameters related to superconductivity such as electron-phonon coupling, transition temperature, electronic specific heat, and magnetic exchange enhancement are derived from the electronic-structure results. Generally the results obtained agree well with experimental values, with the exception of Nb 3 Pt and V 3 Au. In the former compound the density of states (DOS) has a sharp increase at E/sub F/ making the exact DOS value uncertain. In V 3 Au the high calculated T/sub c/ and the Stoner factor indicate that spin fluctuations may be limiting the T/sub c/. .AE

  19. Orbit dynamics for unstable linear motion

    International Nuclear Information System (INIS)

    Parzen, G.

    1997-01-01

    A treatment is given of the orbit dynamics for linear unstable motion that allows for the zeros in the beta function and makes no assumptions about the realness of the betatron and phase functions. The phase shift per turn is shown to be related to the beta function and the number of zeros the beta function goes through per turn. The solutions of the equations of motion are found in terms of the beta function

  20. Orbit dynamics for unstable linear motion

    International Nuclear Information System (INIS)

    Parzen, G.

    1996-04-01

    A treatment is given of the orbit dynamics for linear unstable motion that allows for the zeros in the beta function and makes no assumption about the realness of the betatron and phase functions. The phase shift per turn is shown to be related to the beta function and the number of zeros the beta function goes through per turn. The solutions of the equations of motion are found in terms of the beta function

  1. Proton channeling in Au at low energies

    International Nuclear Information System (INIS)

    Valdes, J.E.; Vargas, P.

    1996-01-01

    The electronic energy loss for low velocity protons channeled in the direction single crystal Au is calculated. The spatial distribution of valence electronic density in Au is calculated using Tight Binding Linear Muffin Tin Method. The proton trajectories are determined by numerical integration of the classical motion equation, and the energy loss is evaluated using the calculated valence electronic density in the friction term. The results allow to describe qualitatively the non linear behavior of energy loss with ion velocity observed experimentally. (author)

  2. Electronic structures and magnetic properties of 3d and 4d transition-metal impurities in ferromagnetic Fe

    CERN Document Server

    Park, J H; Min, B I; Cho, H S

    2000-01-01

    Employing the self-consistent local approach, the tight-binding linear-muffin-tin orbital recursion method, we have investigated the electronic structures and the magnetic properties of 3d and 4d transition-metal (TM) impurities in ferromagnetic bcc Fe. In both 3d and 4d TM impurities, virtual bound states appear and are characterized by a high density of states in the energy spectrum. The characters of the states are studied by calculating the bond order between interaction orbitals. For early TM impurities, the states at the impurity sites have more antibonding characters, while the states at neighboring Fe sites have more bonding characters. For late TM impurities, the situation is reversed. late TM impurities of both the 3d and the 4d TM series have the same magnetic ordering as the host Fe atoms whereas early TM impurities have magnetic moments antiparallel to that of the host. As for the Mn impurity, an inward relaxation of neighboring Fe atoms stabilizes the antiferromagnetic ordering with respect to t...

  3. A canonical eight-dimensional formalism for linear and non-linear classical spin-orbit motion in storage rings

    International Nuclear Information System (INIS)

    Barber, D.P.; Heinemann, K.; Ripken, G.

    1991-05-01

    In the following report we begin to reformulate work by Derbenev on the behaviour of coupled quantized spin-orbit motion. To this end we present a classical symplectic treatment of linear and non-linear spin-orbit motion for storage rings using a fully coupled eight-dimensional formalism which generalizes earlier investigations of coupled synchro-betatron oscillations by introducing two additional canonical spin variables which behave, in a small-angle limit, like those already used in linearised spin theory. Thus in addition to the usual x-z-s couplings, both the spin to orbit and orbit to spin coupling are described canonically. Since the spin Hamiltonian can be expanded in a Taylor series in canonical variables, the formalism is convenient for use in 8-dimensional symplectic tracking calculations with the help, for example, of Lie algebra or differential algebra for the study of chaotic spin motion, for construction of spin normal forms and for the study of the effect of Stern-Gerlach forces. (orig.)

  4. Ultra-Thin Atomic Layer Deposited TiN Films: Non-Linear I–V Behaviour and the Importance of Surface Passivation

    NARCIS (Netherlands)

    Van Hao, B.; Aarnink, Antonius A.I.; Kovalgin, Alexeij Y.; Wolters, Robertus A.M.

    2011-01-01

    We report the electrical resistivity of atomic layer deposited TiN thin films in the thickness range 2.5-20 nm. The measurements were carried out using the circular transfer length method structures. For the films with thickness in the range of 10-20 nm, the measurements exhibited linear

  5. Effects of muffin processing on fumonisins from 14C-labeled toxins produced in cultured corn kernels.

    Science.gov (United States)

    Avantaggiato, Giuseppina; De La Campa, Regina; Miller, J David; Visconti, Angelo

    2003-10-01

    The persistence of fumonisins during cooking is known to be affected by several factors, including thermal degradation and the presence of various ingredients in corn-based food recipes that can react with the toxin. A method for the production of corn kernels containing 14C-fumonisins was developed. The corn kernels were colonized by Fusarium verticillioides MRC 826 and supplemented with 1,2-14C-sodium acetate. The specific activity of 14C-FB1 produced made the study of its fate in cornmeal muffins possible. The double-extraction acetonitrile-water-methanol/immunoaffinity column/o-phthaldialdehyde high-performance liquid chromatography (HPLC) method was used to determine FB1 levels in cornmeal muffins. Reductions in FB1 levels in muffins spiked with 14C-labeled and unlabeled FB1 (43 and 48%, respectively) were similar, indicating that the extraction method was efficient and consistent with previous reports. However, with the labeled corn kernel material, recovery levels based on the 14C counts for the eluate from an immunoaffinity column were much higher (90%). This finding indicates that some fumonisin-related compounds other than FB1 that were present in the cornmeal were recognized by the antibodies but not by the HPLC method.

  6. Multiple collinear magnetic arrangements in thin Mn films supported on Fe(001). Antiferromagnetic versus ferromagnetic behavior

    International Nuclear Information System (INIS)

    Martinez, E.; Vega, A.; Robles, R.; Vazquez de Parga, A.L.

    2005-01-01

    We present a theoretical study of the magnetic properties of thin Mn films of 6 and 7 monolayers supported on Fe(001). The ab-initio tight binding linear muffin tin orbital (TB-LMTO) method was used to investigate the competition between ferromagnetic (F) and antiferromagnetic (AF) couplings within the system. We found several collinear magnetic solutions that may coexist at room temperature. The most stable configurations are characterized by AF coupling between the surface and subsurface Mn layers together with F coupling between Mn and Fe at the interface. The ground state arrangements for the 6 and 7 Mn films display opposite sign of the surface magnetic moment relative to the Fe substrate. The implications of these results in the possible onset of non-collinear magnetism when a step is present at the interface are discussed in comparison with Cr/Fe systems where non-collinear magnetism has been recently reported

  7. Calculations of hyperfine parameters in antimony compounds

    International Nuclear Information System (INIS)

    Svane, A.

    2003-01-01

    The electron contact density and electric-field gradient on the Sb nuclear position is calculated in a series of 22 Sb compounds, comprising metallic, covalent as well as ionic Sb(III) and Sb(V) systems. The full-potential linear-muffin-tin-orbitals method is used with the local-density-approximation for exchange and correlation effects. By comparison with experimental 121 Sb and 123 Sb nuclear quadrupole resonance data and 121 Sb Moessbauer data, the calibration constants relating measured quadrupole coupling constants and isomer shifts to the electric-field gradient and the electron contact density, respectively, are derived. This leads to an accurate determination of the quadrupole moment of the 121 Sb nuclear ground state as Q=-66.9 fm 2 . The difference between the mean-square radius of the 121 Sb nucleus in its excited isomeric and ground states is found to be Δ 2 >=-0.0521 fm 2

  8. Ab-initio study of the magneto-optical properties of the ultrathin films of Fe{sub n}/Au(001)

    Energy Technology Data Exchange (ETDEWEB)

    Boukelkoul, Mebarek, E-mail: boukelkoul_mebarek@yahoo.fr [Laboratoire de Physique Quantique et Systèmes Dynamiques, Faculté des sciences, Université Sétif1, Sétif, 19000 Algeria (Algeria); Haroun, Mohamed Fahim [Laboratoire de Physique Quantique et Systèmes Dynamiques, Faculté des sciences, Université Sétif1, Sétif, 19000 Algeria (Algeria); Haroun, Abdelhalim [Laboratoire de Physique Quantique et Systèmes Dynamiques, Faculté des sciences, Université Sétif1, Sétif, 19000 Algeria (Algeria); IPCMS, UMR 7504 CNRS-UNISTRA, 23 Rue du Loess, Strasbourg, 67034 France (France)

    2016-12-15

    With the aim of understand the microscopic origin of the magneto-optical response in the Fe ultrathin films, we used the first principle full-relativistic Spin-Polarized Relativistic Linear Muffin-Tin Orbitals with Atomic Sphere Approximation. We performed an ab-initio study of the structural, magnetic and magneto-optical properties of Fe deposited on semi-infinite Au(001). The structure and growth of the film leads to a pseudomorphic body centered tetragonal structure with tetragonality ratio c/a=1.62, and the pseudomorphic growth is found to be larger than 3 monolayers. The magnetic study revealed a ferromagnetic phase with a large magnetic moment compared to the bulk one. The magneto-optical response is calculated via the polar magneto-optical Kerr effect over a photon energy range up to 10 eV. The most important features of the Kerr rotation spectra are interpreted trough the interband transitions between localized states.

  9. Li{sub 12}Cu{sub 12.60}Al{sub 14.37}. A new ternary derivative of the binary Laves phases

    Energy Technology Data Exchange (ETDEWEB)

    Pavlyuk, Volodymyr [Ivan Franko Lviv National Univ. (Ukraine). Dept. of Inorganic Chemistry; Jan Dlugosz Univ., Czestochowa (Poland). Inst. of Chemistry, Environment Protection and Biotechnology; Dmytriv, Grygoriy; Tarasiuk, Ivan [Ivan Franko Lviv National Univ. (Ukraine). Dept. of Inorganic Chemistry; Chumak, Ihor [IFW Dresden (Germany); Ehrenberg, Helmut [Karlsruhe Institute of Technology (KIT), Karlsruhe (Germany). Inorganic Chemistry

    2011-12-15

    New ternary dodecalithium dodecacopper tetradecaaluminium, Li{sub 12}Cu{sub 12.60}Al{sub 14.37} (trigonal, R anti 3m, hR39), crystallizes as a new structure type and belongs to the structural family that derives from binary Laves phases. The Li atoms are enclosed in 15- and 16-vertex and the Al3 atom in 14-vertex pseudo-Frank-Kasper polyhedra. The polyhedra around the statistical mixtures of (Cu,Al)1 and (Al,Cu)2 are distorted icosahedra. The electronic structure was calculated by the TB- LMTO-ASA (tight-binding linear muffin-tin orbital atomic spheres approximation) method. The electron localization function, which indicates bond formation, is mostly located at the Al atoms. Thus, Al-Al bonding is much stronger than Li-Al or Cu-Al bonding. This indicates that, besides metallic bonding which is dominant in this compound, weak covalent Al-Al interactions also exist. (orig.)

  10. Theoretical study of structures of Ga{sub 5}N{sub 5} cluster

    Energy Technology Data Exchange (ETDEWEB)

    Song Bin; Cao Peilin

    2002-12-23

    The structures and energies of a Ga{sub 5}N{sub 5} cluster have been calculated using a full-potential linear-muffin-tin-orbital (FP-LMTO) method, combined with molecular dynamics technique. Twenty-four structures for a Ga{sub 5}N{sub 5} cluster have been obtained. The most stable structure is a C{sub 1} planar structure with a N{sub 3} subunit. The Ga{sub 5}N{sub 5} clusters show a preference for a N{sub 3} subunit, revealing the same behavior as in the Ga{sub 3}N{sub 3} and Ga{sub 4}N{sub 4} clusters. The existence of strong N-N bonds dominates the structure of a Ga{sub 5}N{sub 5} cluster. Through the calculation of the density of states we found that the most stable structure of Ga{sub 5}N{sub 5} clusters presented semiconductor-like properties.

  11. Surface shift of the occupied and unoccupied 4f levels of the rare-earth metals

    DEFF Research Database (Denmark)

    Aldén, Magnus; Johansson, Börje; Skriver, Hans Lomholt

    1995-01-01

    The surface energy shifts of the occupied and unoccupied 4f levels for the lanthanide metals have been calculated from first principles by means of a Green’s-function technique within the tight-binding linear muffin-tin orbitals method. We use the concept of complete screening to identify...... the occupied and unoccupied 4f energy level shifts as the surface segregation energy of a 4fn-1 and 4fn+1 impurity atom, respectively, in a 4fn host metal. The calculations include both initial- and final-state effects and give values that are considerably lower than those measured on polycrystalline samples...... as well as those found in previous initial-state model calculations. The present theory agrees well with very recent high-resolution, single-crystal film measurements for Gd, Tb, Dy, Ho, Er, Tm, and Lu. We furthermore utilize the unique possibility offered by the lanthanide metals to clarify the roles...

  12. Surface energy and work function of elemental metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Rosengaard, N. M.

    1992-01-01

    and noble metals, as derived from the surface tension of liquid metals. In addition, they give work functions which agree with the limited experimental data obtained from single crystals to within 15%, and explain the smooth behavior of the experimental work functions of polycrystalline samples......We have performed an ab initio study of the surface energy and the work function for six close-packed surfaces of 40 elemental metals by means of a Green’s-function technique, based on the linear-muffin-tin-orbitals method within the tight-binding and atomic-sphere approximations. The results...... are in excellent agreement with a recent full-potential, all-electron, slab-supercell calculation of surface energies and work functions for the 4d metals. The present calculations explain the trend exhibited by the surface energies of the alkali, alkaline earth, divalent rare-earth, 3d, 4d, and 5d transition...

  13. Ab initio study of mechanical and thermo-acoustic properties of tough ceramics: applications to HfO2 in its cubic and orthorhombic phase

    International Nuclear Information System (INIS)

    Ponce, C A; Casali, R A; Caravaca, M A

    2008-01-01

    By means of the ab initio all-electron new full-potential linear-muffin-tin orbitals method, calculations were made for elastic constants C 11 , C 12 and C 44 for Si, ZrO 2 and HfO 2 in their cubic phase, and constants C 11 , C 22 , C 33 , C 12 , C 13 , C 23 , C 44 , C 55 and C 66 for HfO 2 in its orthorhombic phase. Using the Voigt and Reuss theory, estimations were made for polycrystals of their bulk, shear and Young moduli, and Poisson coefficients. The speed of elastic wave propagations and Debye temperatures were estimated for polycrystals built from Si and the above mentioned compounds. The semicore 4f 14 electrons should be included in the valence set of Hf atom in this all-electron approach if accurate results for elastic properties under pressures are looked for

  14. Polarized atomic orbitals for linear scaling methods

    Science.gov (United States)

    Berghold, Gerd; Parrinello, Michele; Hutter, Jürg

    2002-02-01

    We present a modified version of the polarized atomic orbital (PAO) method [M. S. Lee and M. Head-Gordon, J. Chem. Phys. 107, 9085 (1997)] to construct minimal basis sets optimized in the molecular environment. The minimal basis set derives its flexibility from the fact that it is formed as a linear combination of a larger set of atomic orbitals. This approach significantly reduces the number of independent variables to be determined during a calculation, while retaining most of the essential chemistry resulting from the admixture of higher angular momentum functions. Furthermore, we combine the PAO method with linear scaling algorithms. We use the Chebyshev polynomial expansion method, the conjugate gradient density matrix search, and the canonical purification of the density matrix. The combined scheme overcomes one of the major drawbacks of standard approaches for large nonorthogonal basis sets, namely numerical instabilities resulting from ill-conditioned overlap matrices. We find that the condition number of the PAO overlap matrix is independent from the condition number of the underlying extended basis set, and consequently no numerical instabilities are encountered. Various applications are shown to confirm this conclusion and to compare the performance of the PAO method with extended basis-set calculations.

  15. Origin of optical non-linear response in TiN owing to excitation dynamics of surface plasmon resonance electronic oscillations

    Science.gov (United States)

    Divya, S.; Nampoori, V. P. N.; Radhakrishnan, P.; Mujeeb, A.

    2014-08-01

    TiN nanoparticles of average size 55 nm were investigated for their optical non-linear properties. During the experiment the irradiated laser wavelength coincided with the surface plasmon resonance (SPR) peak of the nanoparticle. The large non-linearity of the nanoparticle was attributed to the plasmon resonance, which largely enhanced the local field within the nanoparticle. Both open and closed aperture Z-scan experiments were performed and the corresponding optical constants were explored. The post-excitation absorption spectra revealed the interesting phenomenon of photo fragmentation leading to the blue shift in band gap and red shift in the SPR. The results are discussed in terms of enhanced interparticle interaction simultaneous with size reduction. Here, the optical constants being intrinsic constants for a particular sample change unusually with laser power intensity. The dependence of χ(3) is discussed in terms of the size variation caused by photo fragmentation. The studies proved that the TiN nanoparticles are potential candidates in photonics technology offering huge scope to study unexplored research for various expedient applications.

  16. AlxGa1--xN/GaN band offsets determined by deep-level emission

    International Nuclear Information System (INIS)

    Hang, D. R.; Chen, C. H.; Chen, Y. F.; Jiang, H. X.; Lin, J. Y.

    2001-01-01

    We present studies of the compositional dependence of the optical properties of Al x Ga 1-x N(0 x Ga 1-x N. As aluminum concentration increases, the color of the band changes from yellow (2.2 eV) to blue (2.6 eV). The shift was less than that of the band gap. Together with previously published studies, it implies that the deep acceptor level is pinned to a common reference level to both materials, thus the deep level responsible for the yellow emission is used as a common reference level to determine the band alignment in Al x Ga 1-x N/GaN heterojunctions. Combining with the near-band-edge modulation spectra, the estimated ratio of conduction-to-valence band discontinuity is 65:35. Our results are close to the values obtained from PL measurements on Al 0.14 Ga 0.86 N/GaN quantum wells and those calculated by linear muffin-tin orbital method and linearized augmented plane wave method. copyright 2001 American Institute of Physics

  17. Proton channeling in Au at low energies; Canalizacion de protones en Au a bajas energias

    Energy Technology Data Exchange (ETDEWEB)

    Valdes, J E; Vargas, P [Chile Univ., Santiago (Chile). Dept. de Fisica

    1997-12-31

    The electronic energy loss for low velocity protons channeled in the <100> direction single crystal Au is calculated. The spatial distribution of valence electronic density in Au is calculated using Tight Binding Linear Muffin Tin Method. The proton trajectories are determined by numerical integration of the classical motion equation, and the energy loss is evaluated using the calculated valence electronic density in the friction term. The results allow to describe qualitatively the non linear behavior of energy loss with ion velocity observed experimentally. (author). 14 refs., 4 figs.

  18. Multiple scattering theory for space filling potentials

    International Nuclear Information System (INIS)

    Butler, W.H.; Brown, R.G.; Nesbet, R.K.

    1990-01-01

    Multiple scattering theory (MST) provides an efficient technique for solving the wave equation for the special case of muffin-tin potentials. Here MST is extended to treat space filling non-muffin tin potentials and its validity, accuracy and efficiency are tested by application of the two dimensional empty lattice test. For this test it is found that the traditional formulation of MST does not coverage as the number of partial waves is increased. A simple modification of MST, however, allows this problem to be solved exactly and efficiently. 15 refs., 3 tabs

  19. Natural excitation orbitals from linear response theories : Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theory

    NARCIS (Netherlands)

    Van Meer, R.; Gritsenko, O. V.; Baerends, E. J.

    2017-01-01

    Straightforward interpretation of excitations is possible if they can be described as simple single orbital-to-orbital (or double, etc.) transitions. In linear response time-dependent density functional theory (LR-TDDFT), the (ground state) Kohn-Sham orbitals prove to be such an orbital basis. In

  20. Linear and nonlinear stability of periodic orbits in annular billiards

    Science.gov (United States)

    Dettmann, Carl P.; Fain, Vitaly

    2017-04-01

    An annular billiard is a dynamical system in which a particle moves freely in a disk except for elastic collisions with the boundary and also a circular scatterer in the interior of the disk. We investigate the stability properties of some periodic orbits in annular billiards in which the scatterer is touching or close to the boundary. We analytically show that there exist linearly stable periodic orbits of an arbitrary period for scatterers with decreasing radii that are located near the boundary of the disk. As the position of the scatterer moves away from a symmetry line of a periodic orbit, the stability of periodic orbits changes from elliptic to hyperbolic, corresponding to a saddle-center bifurcation. When the scatterer is tangent to the boundary, the periodic orbit is parabolic. We prove that slightly changing the reflection angle of the orbit in the tangential situation leads to the existence of Kolmogorov-Arnold-Moser islands. Thus, we show that there exists a decreasing to zero sequence of open intervals of scatterer radii, along which the billiard table is not ergodic.

  1. Finite orbit energetic particle linear response to toroidal Alfven eigenmodes

    International Nuclear Information System (INIS)

    Berk, H.L.; Ye, Huanchun; Breizman, B.N.

    1991-07-01

    The linear response of energetic particles to the TAE modes is calculated taking into account their finite orbit excursion from the flux surfaces. The general expression reproduces the previously derived theory for small banana width: when the banana width triangle b is much larger than the mode thickness triangle m , we obtain a new compact expression for the linear power transfer. When triangle m /triangle b much-lt 1, the banana orbit effect reduces the power transfer by a factor of triangle m /triangle b from that predicted by the narrow orbit theory. A comparison is made of the contribution to the TAE growth rate of energetic particles with a slowing-down distribution arising from an isotropic source, and a balance-injected beam source when the source speed is close to the Alfven speed. For the same stored energy density, the contribution from the principal resonances (|υ parallel | = υ A is substantially enhanced in the beam case compared to the isotropic case, while the contribution at the higher sidebands (|υ parallel |) = υ A /(2 ell - 1) with ell ≥ 2) is substantially reduced. 10 refs

  2. Effects of temperature and pressure on thermodynamic properties of Cd0.50 Zn0.50 Se alloy

    Science.gov (United States)

    Aarifeen, Najm ul; Afaq, A.

    2017-09-01

    Thermodynamic properties of \\text{C}{{\\text{d}}0.50} \\text{Z}{{\\text{n}}0.50} Se alloy are studied using quasi harmonic model for pressure range 0-10 GPa and temperature range 0-1000 K. The structural optimization is obtained by self consistent field calculations and full-potential linear muffin-tin orbital method with GGA+U as an exchange correlation functional where U=2.3427 eV is the hubbard potential. The effects of temperature and pressure on the bulk modulus, Helmholtz free energy, internal energy, entropy, Debye temperature, Grüneisen parameter, thermal expansion coefficient and heat capacities of the material are observed and discussed. The bulk modulus, Helmholtz free energy and Debye temperature are found to decrease with increasing temperature while there is an increasing behavior when the pressure rises. Whereas internal energy has increasing trend with rises in temperature and it almost remains insensitive to pressure. The entropy of the system increases (decreases) with a rise of pressure (temperature).

  3. First principles electronic and thermal properties of some AlRE intermetallics

    Science.gov (United States)

    Srivastava, Vipul; Sanyal, Sankar P.; Rajagopalan, M.

    2008-10-01

    A study on structural and electronic properties of non-magnetic cubic B 2-type AlRE (RE=Sc, Y, La, Ce, Pr and Lu) intermetallics has been done theoretically. The self-consistent tight binding linear muffin tin orbital method is used to describe the electronic properties of these intermetallics at ambient and at high pressure. These compounds show metallic behavior under ambient conditions. The variation of density of states under compression indicates some possibility of structural phase transformation in AlLa, AlCe and AlPr. Thermal properties like Debye temperature and Grüneisen constant are calculated at T=0 K and at ambient pressure within the Debye-Grüneisen model and compared with the others’ theoretical results. Our results are in good agreement. We have also performed a pressure-induced variation of Debye temperature and have found a decrease in Debye temperature around 40 kbar in AlRE (RE=La, Ce, Pr) intermetallics.

  4. First principles electronic and thermal properties of some AlRE intermetallics

    Energy Technology Data Exchange (ETDEWEB)

    Srivastava, Vipul [Department of Physics, Barkatullah University, Hoshangabad Road, Bhopal, Madhya Pradesh 462 026 (India)], E-mail: vips73@yahoo.com; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Hoshangabad Road, Bhopal, Madhya Pradesh 462 026 (India); Rajagopalan, M. [Department of Physics, Anna University, Chennai-600 025 (India)

    2008-10-01

    A study on structural and electronic properties of non-magnetic cubic B{sub 2}-type AlRE (RE=Sc, Y, La, Ce, Pr and Lu) intermetallics has been done theoretically. The self-consistent tight binding linear muffin tin orbital method is used to describe the electronic properties of these intermetallics at ambient and at high pressure. These compounds show metallic behavior under ambient conditions. The variation of density of states under compression indicates some possibility of structural phase transformation in AlLa, AlCe and AlPr. Thermal properties like Debye temperature and Grueneisen constant are calculated at T=0 K and at ambient pressure within the Debye-Grueneisen model and compared with the others' theoretical results. Our results are in good agreement. We have also performed a pressure-induced variation of Debye temperature and have found a decrease in Debye temperature around 40 kbar in AlRE (RE=La, Ce, Pr) intermetallics.

  5. First principles electronic and thermal properties of some AlRE intermetallics

    International Nuclear Information System (INIS)

    Srivastava, Vipul; Sanyal, Sankar P.; Rajagopalan, M.

    2008-01-01

    A study on structural and electronic properties of non-magnetic cubic B 2 -type AlRE (RE=Sc, Y, La, Ce, Pr and Lu) intermetallics has been done theoretically. The self-consistent tight binding linear muffin tin orbital method is used to describe the electronic properties of these intermetallics at ambient and at high pressure. These compounds show metallic behavior under ambient conditions. The variation of density of states under compression indicates some possibility of structural phase transformation in AlLa, AlCe and AlPr. Thermal properties like Debye temperature and Grueneisen constant are calculated at T=0 K and at ambient pressure within the Debye-Grueneisen model and compared with the others' theoretical results. Our results are in good agreement. We have also performed a pressure-induced variation of Debye temperature and have found a decrease in Debye temperature around 40 kbar in AlRE (RE=La, Ce, Pr) intermetallics

  6. Ab initio study of mechanical and thermo-acoustic properties of tough ceramics: applications to HfO{sub 2} in its cubic and orthorhombic phase

    Energy Technology Data Exchange (ETDEWEB)

    Ponce, C A [Departamento de Fisica, Facultad de Ciencias Exactas, y Naturales y Agrimensura, UNNE, Campus Universitario, Avenida Libertad 5600, CP 3400, Corrientes (Argentina); Casali, R A [Departamento de Fisica, Facultad de Ciencias Exactas, y Naturales y Agrimensura, UNNE, Campus Universitario, Avenida Libertad 5600, CP 3400, Corrientes (Argentina); Caravaca, M A [Departamento de Fisico, Quimica, Facultad de Ingenieria, UNNE, Avenida Las Heras 727, CP 3500, Resistencia (Argentina)

    2008-01-30

    By means of the ab initio all-electron new full-potential linear-muffin-tin orbitals method, calculations were made for elastic constants C{sub 11}, C{sub 12} and C{sub 44} for Si, ZrO{sub 2} and HfO{sub 2} in their cubic phase, and constants C{sub 11}, C{sub 22}, C{sub 33}, C{sub 12}, C{sub 13}, C{sub 23}, C{sub 44}, C{sub 55} and C{sub 66} for HfO{sub 2} in its orthorhombic phase. Using the Voigt and Reuss theory, estimations were made for polycrystals of their bulk, shear and Young moduli, and Poisson coefficients. The speed of elastic wave propagations and Debye temperatures were estimated for polycrystals built from Si and the above mentioned compounds. The semicore 4f{sup 14} electrons should be included in the valence set of Hf atom in this all-electron approach if accurate results for elastic properties under pressures are looked for.

  7. Band structure of the quaternary Heusler alloys ScMnFeSn and ScFeCoAl

    Science.gov (United States)

    Shanthi, N.; Teja, Y. N.; Shaji, Shephine M.; Hosamani, Shashikala; Divya, H. S.

    2018-04-01

    In our quest for materials with specific applications, a theoretical study plays an important role in predicting the properties of compounds. Heusler alloys or compounds are the most studied in this context. More recently, a lot of quaternary Heusler compounds are investigated for potential applications in fields like Spintronics. We report here our preliminary study of the alloys ScMnFeSn and ScFeCoAl, using the ab-initio linear muffin-tin orbital method within the atomic sphere approximation (LMTO-ASA). The alloy ScMnFeSn shows perfect half-metallicity, namely, one of the spins shows a metallic behaviour and the other spin shows semi-conducting behaviour. Such materials find application in devices such as the spin-transfer torque random access memory (STT-MRAM). In addition, the alloy ScMnFeSn is found to have an integral magnetic moment of 4 µB, as predicted by the Slater-Pauling rule. The alloy ScFeCoAl does not show half-metallicity.

  8. Electronic structure and phase equilibria in ternary substitutional alloys

    International Nuclear Information System (INIS)

    Traiber, A.J.S.; Allen, S.M.; Waterstrat, R.M.

    1996-01-01

    A reliable, consistent scheme to study phase equilibria in ternary substitutional alloys based on the tight-binding approximation is presented. With electronic parameters from linear muffin-tin orbital calculations, the computed density of states and band structures compare well with those from more accurate abinitio calculations. Disordered alloys are studied within the tight-binding coherent-potential approximation extended to alloys; energetics of ordered systems are obtained through effective pair interactions computed with the general perturbation method; and partially ordered alloys are studied with a novel simplification of the molecular coherent-potential approximation combined with the general perturbation method. The formalism is applied to bcc-based Zr-Ru-Pd alloys which are promising candidates for medical implant devices. Using energetics obtained from the above scheme, we apply the cluster- variation method to study phase equilibria for particular pseudo- binary alloys and show that results are consistent with observed behavior of electronic specific heat coefficient with composition for Zr 0.5 (Ru, Pd) 0.5

  9. Valence electronic structure of Ni in Ni Si alloys from relative K X-ray intensity studies

    Science.gov (United States)

    Kalayci, Y.; Aydinuraz, A.; Tugluoglu, B.; Mutlu, R. H.

    2007-02-01

    The Kβ-to-Kα X-ray intensity ratio of Ni in Ni 3Si, Ni 2Si and NiSi has been determined by energy dispersive X-ray fluorescence technique. It is found that the intensity ratio of Ni decreases from pure Ni to Ni 2Si and then increases from Ni 2Si to NiSi, in good agreement with the electronic structure calculations cited in the literature. We have also performed band structure calculations for pure Ni in various atomic configurations by means of linear muffin-tin orbital method and used this data with the normalized theoretical intensity ratios cited in the literature to estimate the 3d-occupation numbers of Ni in Ni-Si alloys. It is emphasized that investigation of alloying effect in terms of X-ray intensity ratios should be carried out for the stoichiometric alloys in order to make reliable and quantitative comparisons between theory and experiment in transition metal alloys.

  10. Structural and electronic properties of Er-monopnictides under high pressure

    International Nuclear Information System (INIS)

    Pandit, Premlata; Srivastava, Vipul; Rajagopalan, M.; Sanyal, Sankar P.

    2010-01-01

    We present the results of theoretical calculations on the structural, magnetic and electronic properties of Er-monopnictides using self-consistent first principles tight-binding linear-muffin-tin-orbital (TB-LMTO) method within the atomic-sphere approximation (ASA). Both spin-polarized and non-spin-polarized calculations are performed to check the magnetic stability of these compounds. We find that ErN, ErP and ErAs are metallic in ferromagnetic (FM) phase in both the spin channels and stable in NaCl-type (B 1 ) structure at ambient pressure. We predict NaCl-type (B 1 ) to CsCl-type (B 2 ) structural phase transition in ErN, ErP and ErAs at pressures of 146.1, 60.2 and 53.2 GPa, respectively and remain metallic ferromagnetic at high pressure. We calculate equilibrium lattice constants (a), bulk modulus (B), magnetic moments (μ B ) and electronic properties of these compounds in B 1 and B 2 phases and compare with available experimental and theoretical results.

  11. Self-consistent, relativistic, ferromagnetic band structure of gadolinium

    International Nuclear Information System (INIS)

    Harmon, B.N.; Schirber, J.; Koelling, D.D.

    1977-01-01

    An initial self-consistent calculation of the ground state magnetic band structure of gadolinium is described. A linearized APW method was used which included all single particle relativistic effects except spin-orbit coupling. The spin polarized potential was obtained in the muffin-tin form using the local spin density approximation for exchange and correlation. The most striking and unorthodox aspect of the results is the position of the 4f spin-down ''bands'' which are required to float just on top of the Fermi level in order to obtain convergence. If the 4f states (l = 3 resonance) are removed from the occupied region of the conduction bands the magnetic moment is approximately .75 μ/sub B//atom; however, as the 4f spin-down states are allowed to find their own position they hybridize with the conduction bands at the Fermi level and the moment becomes smaller. Means of improving the calculation are discussed

  12. Theoretical studies of defects in insulators within the framework of the local density approximation

    International Nuclear Information System (INIS)

    Pederson, M.R.; Klein, B.M.

    1989-01-01

    The muffin-tin Green's function method and a linear combination of atomic orbitals cluster method for defect studies are discussed. These methods have been used to carry out calculations on F-like centers in MgO, CaO and LiF. Although the local density approximation leads to qualitatively correct information pertaining to the occupied states, in addition to the usual perfect-crystal band gap problem, the unoccupied defect levels are found to lie above the onset of the conducting band, in disagreement with the experimental measurements. Results using two methods for incorporating many-electron corrections into an LDA-like computational algorithm are discussed. These methods are the 'scissor-operator' approach to the band gap problem, and the self-interaction-correction (SIC) framework for improving the local spin density approximation. SIC results for the defect excitation spectra are in very good agreement with experiment. This method, when fully developed, should give an excellent ab initio description of defects in insulators. (author) 29 refs., 3 figs., 1 tab

  13. Scheme for ab initio calculation of the Green function in large disordered systems with application to transport properties

    Science.gov (United States)

    Tanaka, Hiroshi

    1998-01-01

    A real-space scheme is developed to calculate matrix elements of the Green function from first principles for large disordered systems. The scheme is an extension of the particle source method, combined with the tight-binding linear muffin-tin orbitals and has the following advantages: (i) It is possible to evaluate both the diagonal and off-diagonal parts of the Green function and also their products with other quantum operators, (ii) it allows for an explicit control of the numerical accuracy and clear-cut physical interpretations of the results on the basis of the definition of the Green function, and (iii) the scheme is suitable for both vector and parallel processing and requires CPU time and memory size proportional only to the system size. The method is applied to the densities of states of bcc and amorphous Fe. The dc conductivity is also evaluated for the latter from the Kubo-Greenwood formula.

  14. Theoretical investigation of the Fermi surfaces of La2-xSrxCuO4 and YBa2Cu3O7

    International Nuclear Information System (INIS)

    Antonov, V.N.; Antonov, Vl.N.; Bar'yakhtar, V.G.; Baglyuk, A.I.; Maksimov, E.G.; Nemoshkalenko, V.V.; Perlov, A.Ya.; Savrasov, S.Yu.; Uspenskii, Yu.A.

    1989-01-01

    A theoretical investigation is made of the shape of the Fermi surface and of the constant-energy surfaces near the Fermi energy of the La 2-x Sr x CuO 4 and YBa 2 Cu 3 O 7 oxides by a self-consistent linear muffin-tin orbital method in the atomic sphere approximation (OMTO-ASA). It is shown that the Fermi surfaces of these compounds are strongly two-dimensional. The Fermi surface of La 2-x Sr x CuO 4 is a corrugated rounded box centered at the point Λ. The Fermi surface of YBa 2 Cu 3 O 7 consists of four sheets: an electron cushion at the point Λ and three nested hole surfaces centered at the point S. The electron cushion and one of the hole surfaces are strongly corrugated along the z direction. The theoretically calculated Fermi surfaces of La 2 CuO 4 and YBa 2 Cu 3 O 7 are compared with the experimental data on electron-positron annihilation

  15. Tin

    Science.gov (United States)

    Kamilli, Robert J.; Kimball, Bryn E.; Carlin, James F.; Schulz, Klaus J.; DeYoung,, John H.; Seal, Robert R.; Bradley, Dwight C.

    2017-12-19

    Tin (Sn) is one of the first metals to be used by humans. Almost without exception, tin is used as an alloy. Because of its hardening effect on copper, tin was used in bronze implements as early as 3500 B.C. The major uses of tin today are for cans and containers, construction materials, transportation materials, and solder. The predominant ore mineral of tin, by far, is cassiterite (SnO2).In 2015, the world’s total estimated mine production of tin was 289,000 metric tons of contained tin. Total world reserves at the end of 2016 were estimated to be 4,700,000 metric tons. China held about 24 percent of the world’s tin reserves and accounted for 38 percent of the world’s 2015 production of tin.The proportion of scrap used in tin production is between 10 and 25 percent. Unlike many metals, tin recycling is relatively efficient, and the fraction of tin in discarded products that get recycled is greater than 50 percent.Only about 20 percent of the world’s identified tin resources occur as primary hydrothermal hard-rock veins, or lodes. These lodes contain predominantly high-temperature minerals and almost invariably occur in close association with silicic, peraluminous granites. About 80 percent of the world’s identified tin resources occur as unconsolidated secondary or placer deposits in riverbeds and valleys or on the sea floor. The largest concentration of both onshore and offshore placers is in the extensive tin belt of Southeast Asia, which stretches from China in the north, through Thailand, Burma (also referred to as Myanmar), and Malaysia, to the islands of Indonesia in the south. Furthermore, tin placers are almost always found closely allied to the granites from which they originate. Other countries with significant tin resources are Australia, Bolivia, and Brazil.Most hydrothermal tin deposits belong to what can be thought of as a superclass of porphyry-greisen deposits. The hydrothermal tin deposits are all characterized by a close spatial

  16. Density functional theory study on the electronic structure of UAl3 and USn3

    International Nuclear Information System (INIS)

    Tan Mingqiu; Tao Xiangming; Xu Xiaojun; Cai Jianqiu

    2003-01-01

    Authors report an ab initio study on the electronic properties of 5f states in U X 3 (X=Al, Sn) by full-potential linear muffin-tin orbitals L(S)DA calculations. The relativistic effects which are quite remarkable for heavy atoms such as U, have been treated by using scalar relativistic and spin-orbital coupling corrections. The calculations presented in this article have addressed following issues: firstly, the numerical results illustrates the different U 5f itineracy in UAl 3 and USn 3 qualitatively, and then the heavy fermion behavior of USn 3 ; secondly, using Stuttgart-fatband analysis, authors have confirmed the above conclusion quantitatively. In addition to the above results, the calculation involved in this research has resolved the discrepancy between previous density functional theory studies on these compounds, especially the band structure dispersion in M-X direction of simple cubic USn 3 . In conclusion, this study has approached a more precise description for these uranium compounds on the basis of modern density functional theory calculation and described USn 3 as a heavy fermion system due to its localized U 5f electronic states theoretically

  17. Noise destroys the coexistence of periodic orbits of a piecewise linear map

    International Nuclear Information System (INIS)

    Wang Can-Jun; Yang Ke-Li; Qu Shi-Xian

    2013-01-01

    The effects of Gaussian white noise and Gaussian colored noise on the periodic orbits of period-5 (P-5) and period-6 (P-6) in their coexisting domain of a piecewise linear map are investigated numerically. The probability densities of some orbits are calculated. When the noise intensity is D = 0.0001, only the orbits of P-5 exist, and the coexisting phenomenon is destroyed. On the other hand, the self-correlation time τ of the colored noise also affects the coexisting phenomenon. When τ c c , only the orbits of P-5 appear, and the stability of the orbits of P-5 is enhanced. However, when τ > τ' c (τ c and τ c ' are critical values), only the orbits of P-6 exist, and the stability of the P-6 orbits is enhanced greatly. When τ c , the orbits of P-5 and P-6 coexist, but the stability of the P-5 orbits is enhanced and that of P-6 is weakened with τ increasing

  18. Linear orbit parameters for the exact equations of motion

    International Nuclear Information System (INIS)

    Parzen, G.

    1995-01-01

    This paper defines the beta function and other linear orbit parameters using the exact equations of motion. The β, α and ψ functions are redefined using the exact equations. Expressions are found for the transfer matrix and the emittance. The differential equations for η = x/β 1/2 is found. New relationships between α, β, ψ and ν are derived

  19. Ground motion optimized orbit feedback design for the future linear collider

    Energy Technology Data Exchange (ETDEWEB)

    Pfingstner, J., E-mail: juergen.pfingstner@cern.ch [CERN, Geneva 23, CH-1211 (Switzerland); Vienna University of Technology, Karlsplatz 13, 1040 Wien (Austria); Snuverink, J. [CERN, Geneva 23, CH-1211 (Switzerland); John Adams Institute at Royal Holloway, University of London, Surrey (United Kingdom); Schulte, D. [CERN, Geneva 23, CH-1211 (Switzerland)

    2013-03-01

    The future linear collider has strong stability requirements on the position of the beam along the accelerator and at the interaction point (IP). The beam position will be sensitive to dynamic imperfections in particular ground motion. A number of mitigation techniques have been proposed to be deployed in parallel: active and passive quadrupole stabilization and positioning as well as orbit and IP feedback. This paper presents a novel design of the orbit controller in the main linac and beam delivery system. One global feedback controller is proposed based on an SVD-controller (Singular Value Decomposition) that decouples the large multi-input multi-output system into many independent single-input single-output systems. A semi-automatic procedure is proposed for the controller design of the independent systems by exploiting numerical models of ground motion and measurement noise to minimize a target parameter, e.g. luminosity loss. The novel design for the orbit controller is studied for the case of the Compact Linear Collider (CLIC) in integrated simulations, which include all proposed mitigation methods. The impact of the ground motion on the luminosity performance is examined in detail. It is shown that with the proposed orbit controller the tight luminosity budget for ground motion effects is fulfilled and accordingly, an essential feasibility issue of CLIC has been addressed. The orbit controller design is robust and allows for a relaxed BPM resolution, while still maintaining a strong ground motion suppression performance compared to traditional methods. We believe that the described method could easily be applied to other accelerators and light sources.

  20. Rietveld analysis and electronic bands structure on Tc superconductors systems

    International Nuclear Information System (INIS)

    Aldea, N.; Tiusan, C. V.; Sandu, V.

    1999-01-01

    A procedure for simultaneous refinement of structural and micro-structural disorder parameters for polycrystalline YBa 2 Cu 3 O 7-x system is proposed. It is based on Rietveld method combined with Fourier analysis for broadened peaks Another purpose of this paper consists in electronic structure determination studied by using the self-consistent Tight Binding Linear Muffin-Tin Orbital Atomic Spheres Approximation TB-LMTO-ASA methods. The Rietveld method uses an analytical function that describes the profiles, usually pseudo-Voigt (pV) or Pearson VII (PVII). The parameters of the analytical profiles describe its amplitude, position and peak shape. The full width at half maximum (FWHM) is supposed to vary with the diffraction angle in agreement with the Caglioti, Paoletti and Ricci's relationship. The best structural parameters are determined in the least squares sense by the minimisation a classical residual using the Marquardt method. In this case, the peak profiles were modelled by the pseudo-Voigt function corrected by the instrumental asymmetry. The physical information obtained are: scale factor, lattice parameters, atomic position and displacements, atomic occupation numbers, temperature factor (isotropy or anisotropy), preferred orientation parameter, crystalline size and micro-strain along different crystallographic directions, distributions of crystallite size and micro-strain functions. This procedure was implemented on computer code and it has a friendly graphical interface based on pull down menus technique. From the experimental point of view the X-ray diffraction data were collected using a horizontal powder diffractometer in the Bragg-Brentano (BB) geometry with a Ni filtered CuKα, λ = 1.54178 A, at room temperature using a DRON 2 set-up. The diffraction profiles were measured with a proportional gas detector, a single channel pulse-height discrimination and a standard associated counting circuit. The electronic band calculations are based on the TB

  1. Effect of pressure on the bandstructure and superconductivity in lutetium

    International Nuclear Information System (INIS)

    Asokamani, R.; Natarajan, S.; Rajagopalan, M.; Sundararajan, V.; Suvasini, M.B.; Iyakutti, K.

    1984-08-01

    The detailed bandstructure and superconducting behaviour of lutetium at 230 kbar pressure is reported here. The electronic contribution eta to the electron-phonon mass enhancement lambda is studied within the rigid muffin-tin (RMT) approximation. The pd and df matrix elements are expressed in terms of 'd' bandwidth, Fermi energy and muffin-tin zero. The variations of Grueneisen parameter and Debye temperature with pressure are studied and applied in the calculation of Tsub(c). The calculated Tsub(c) value agrees fairly well with the experimental value. The changes in the conduction bandwidth and the electronic specific heat coefficient with pressure are found to be in agreement with theoretical prediction. (author)

  2. Finite orbit energetic particle linear response to toroidal Alfven eigenmodes

    International Nuclear Information System (INIS)

    Berk, H.L.; Ye Huanchun; Breizman, B.N.

    1992-01-01

    The linear response of energetic particles of the TAE modes is calculated taking into account their finite orbit excursion from the flux surfaces. The general expression reproduces the previously derived theory for small banana width; when the banana width Δ b is much larger than the mode thickness Δ m , we obtain a new compact expression for the linear power transfer. When Δ m /Δ b m /Δ b from that predicted by the narrow orbit theory. A comparison is made of the contribution to the TAE growth rate of energetic particles with a slowing-down distribution arising from an isotropic source, and a balanced-injected beam source when the source speed is close to the Alfven speed. For the same stored energy density, the contribution from the principal resonances (vertical strokev parallel vertical stroke=v A ) is substantially enhanced in the beam case compared to the isotropic case, while the contribution at the higher sidebands (vertical strokev parallel vertical stroke=v A /(2l-1) with l≥2) is substantially reduced. (orig.)

  3. Tangent Orbital Rendezvous Using Linear Relative Motion with J2 Perturbations

    Directory of Open Access Journals (Sweden)

    Gang Zhang

    2013-01-01

    Full Text Available The tangent-impulse coplanar orbit rendezvous problem is studied based on the linear relative motion for J2-perturbed elliptic orbits. There are three cases: (1 only the first impulse is tangent; (2 only the second impulse is tangent; (3 both impulses are tangent. For a given initial impulse point, the first two problems can be transformed into finding all roots of a single variable function about the transfer time, which can be done by the secant method. The bitangent rendezvous problem requires the same solution for the first two problems. By considering the initial coasting time, the bitangent rendezvous solution is obtained with a difference function. A numerical example for two coplanar elliptic orbits with J2 perturbations is given to verify the efficiency of these proposed techniques.

  4. Accumulation of unstable periodic orbits and the stickiness in the two-dimensional piecewise linear map.

    Science.gov (United States)

    Akaishi, A; Shudo, A

    2009-12-01

    We investigate the stickiness of the two-dimensional piecewise linear map with a family of marginal unstable periodic orbits (FMUPOs), and show that a series of unstable periodic orbits accumulating to FMUPOs plays a significant role to give rise to the power law correlation of trajectories. We can explicitly specify the sticky zone in which unstable periodic orbits whose stability increases algebraically exist, and find that there exists a hierarchy in accumulating periodic orbits. In particular, the periodic orbits with linearly increasing stability play the role of fundamental cycles as in the hyperbolic systems, which allows us to apply the method of cycle expansion. We also study the recurrence time distribution, especially discussing the position and size of the recurrence region. Following the definition adopted in one-dimensional maps, we show that the recurrence time distribution has an exponential part in the short time regime and an asymptotic power law part. The analysis on the crossover time T(c)(*) between these two regimes implies T(c)(*) approximately -log[micro(R)] where micro(R) denotes the area of the recurrence region.

  5. Hydrolysis of bis(dimethylamido)tin to tin (II) oxyhydroxide and its selective transformation into tin (II) or tin (IV) oxide

    KAUST Repository

    Khanderi, Jayaprakash; Shi, Lei; Rothenberger, Alexander

    2015-01-01

    Sn6O4(OH)4, a hydrolysis product of Sn(NMe2)2, is transformed to tin (II) or tin (IV) oxide by solid and solution phase processing. Tin (II) oxide is formed by heating Sn6O4(OH)4 at ≤200 °C in air or under inert atmosphere. Tin (IV) oxide

  6. Microscopic theory of magnetization processes in Y (Co sub 1 sub - sub x Al sub x) sub 2

    CERN Document Server

    Khmelevskyi, S; Mohn, P

    2002-01-01

    Employing ab initio electronic structure calculations we study the development of the magnetic properties in Y (Co sub 1 sub - sub x Al sub x) sub 2 for varying Al concentration. The effect of substitutional disorder is treated in the coherent-potential approximation implemented within a tight-binding linear muffin-tin orbital method. The experimentally observed reduction of the critical field of the itinerant electron metamagnetic phase transition with increasing content of non-magnetic Al is explained. It is shown, on the basis of a T = 0 K Stoner type itinerant magnetism theory, that the alloying-induced changes in the shape of the calculated density of states, caused by the Al substitution, lead to (i) a stabilization of the magnetic state, (ii) a smoothening of the first-order metamagnetic transition and (iii) a subsequent suppression of the metamagnetic transition around x 0.15. Analysing the magnetization processes in Y (Co sub 1 sub - sub x Al sub x) sub 2 by varying the strength of the exchange inter...

  7. Theoretical investigation of spin-filtering in CrAs/GaAs heterostructures

    International Nuclear Information System (INIS)

    Stickler, B. A.; Ertler, C.; Pötz, W.; Chioncel, L.

    2013-01-01

    The electronic structure of bulk zinc-blende GaAs, zinc-blende and tetragonal CrAs, and CrAs/GaAs supercells, computed within linear muffin-tin orbital (LMTO) local spin-density functional theory, is used to extract the band alignment for the [1,0,0] GaAs/CrAs interface in dependence of the spin orientation. With the lateral lattice constant fixed to the experimental bulk GaAs value, a local energy minimum is found for a tetragonal CrAs unit cell with a longitudinal ([1,0,0]) lattice constant reduced by ≈2%. Due to the identified spin-dependent band alignment, half-metallicity of CrAs no longer is a key requirement for spin-filtering. Based on these findings, we study the spin-dependent tunneling current in [1,0,0] GaAs/CrAs/GaAs heterostructures within the non-equilibrium Green's function approach for an effective tight-binding Hamiltonian derived from the LMTO electronic structure. Results indicate that these heterostructures are promising candidates for efficient room-temperature all-semiconductor spin-filtering devices

  8. Structural and electronic properties of Er-monopnictides under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Pandit, Premlata, E-mail: lataprem29@gmail.co [Department of Physics, Barkatullah University, Bhopal, Madhya Pradesh 462026 (India); Srivastava, Vipul [Department of Physics, Oriental Institute of Science and Technology, Thakral Nagar, Bhopal (India); Rajagopalan, M. [Crystal Growth Centre, Anna University, Chennai 600 025 (India); Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, Madhya Pradesh 462026 (India)

    2010-05-01

    We present the results of theoretical calculations on the structural, magnetic and electronic properties of Er-monopnictides using self-consistent first principles tight-binding linear-muffin-tin-orbital (TB-LMTO) method within the atomic-sphere approximation (ASA). Both spin-polarized and non-spin-polarized calculations are performed to check the magnetic stability of these compounds. We find that ErN, ErP and ErAs are metallic in ferromagnetic (FM) phase in both the spin channels and stable in NaCl-type (B{sub 1}) structure at ambient pressure. We predict NaCl-type (B{sub 1}) to CsCl-type (B{sub 2}) structural phase transition in ErN, ErP and ErAs at pressures of 146.1, 60.2 and 53.2 GPa, respectively and remain metallic ferromagnetic at high pressure. We calculate equilibrium lattice constants (a), bulk modulus (B), magnetic moments (mu{sub B}) and electronic properties of these compounds in B{sub 1} and B{sub 2} phases and compare with available experimental and theoretical results.

  9. Structural phase transition and electronic properties in samarium chalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Panwar, Y. S., E-mail: yspanwar2011@gmail.com [Department of Physics, Govt. New Science College Dewas-455001 (India); Aynyas, Mahendra [Department of Physics, C.S.A. Govt. P.G. College, Sehore, 466001 (India); Pataiya, J.; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, 462026 (India)

    2016-05-06

    The electronic structure and high pressure properties of samarium monochalcogenides SmS, SmSe and SmTe have been reported by using tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA). The total energy as a function of volume is evaluated. It is found that these monochalcogenides are stable in NaCl-type structure under ambient pressure. We predict a structural phase transition from NaCl-type (B{sub 1}-phase) structure to CsCl-type (B{sub 2}-type) structure for these compounds. Phase transition pressures were found to be 1.7, 4.4 and 6.6 GPa, for SmS, SmSe and SmTe respectively. Apart from this, the lattice parameter (a{sub 0}), bulk modulus (B{sub 0}), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed that these compounds exhibit metallic character. The calculated values of equilibrium lattice parameter and phase transition pressure are in general good agreement with available data.

  10. Structural and elastic properties of Ni2+xMn1-xGa alloys

    International Nuclear Information System (INIS)

    Ghosh, Subhradip; Vitos, Levente; Sanyal, Biplab

    2011-01-01

    The structural parameters and the energetics of the Ni 2+x Mn 1-x Ga alloys have been investigated by the first-principles Exact Muffin Tin Orbital-Coherent Potential Approximation (EMTO-CPA) for 0.10 m . The qualitative behavior of δE with variation of x has been found to be in agreement with the experimentally observed variation of T m with x. The elastic constants for the entire range of x have also been calculated and the determination of a relationship between δE and the elastic shear modulus has been attempted. It is seen that δE varies linearly with elastic shear modulus C', qualitatively similar to the relation between T m and C'. The energetics calculated with the EMTO method agrees quite well with the all-electron full-potential results ensuring the accuracy of the method. These results show that the EMTO-CPA method is one of the most reliable and accurate first-principles methods, in the context of off-stoichiometric alloys which undergo martensitic phase transformations.

  11. Non-linear vibrational modes in biomolecules: A periodic orbits description

    International Nuclear Information System (INIS)

    Kampanarakis, Alexandros; Farantos, Stavros C.; Daskalakis, Vangelis; Varotsis, Constantinos

    2012-01-01

    Graphical abstract: Vibrational frequency shifts in Fe IV = O species of the active site of cytochrome c oxidase are attributed to changes in the surrounding Coulomb field. Periodic orbits analysis assists to find the most anharmonic modes in model biomolecules. Highlights: ► Periodic orbits are extended to multidimensional potentials of biomolecules. ► Highly anharmonic vibrational modes and center-saddle bifurcations are detected. ► Vibrational frequencies shifts in Oxoferryl species of CcO are observed. - Abstract: The vibrational harmonic normal modes of a molecule, which are valid at energies close to an equilibrium point (a minimum, maximum or saddle of the potential energy surface), are extended by periodic orbits to high energies where anharmonicity and coupling of the degrees of freedom are significant. In this way the assignment of the spectra, and thus the extraction of dynamics in highly excited molecules, can be obtained. New vibrational modes emanating from bifurcations of periodic orbits and long living localized trajectories signal the birth and localization of new quantum states. In this article we review and further study non-linear vibrational modes for model biomolecules such as alanine dipeptide and the active site in the oxoferryl oxidation state of the enzyme cytochrome c oxidase. We locate periodic orbits which exhibit high anhamonicity and lead to center-saddle bifurcations. These modes are associated to an isomerization process in alanine dipeptide and to frequency shifts in the oxoferryl observed by modifying the Coulomb field around the Imidazole–Fe IV = O species.

  12. A theoretical search for intermetallic compounds and solution phases in the binary system Sn/Zn

    Energy Technology Data Exchange (ETDEWEB)

    Appen, Joerg von; Dronskowski, Richard; Hack, Klaus

    2004-10-06

    The binary system Sn/Zn was theoretically investigated by a classical thermodynamic analysis (CALPHAD approach) and by density-functional total-energy calculations on the basis of the LDA/GGA, plane waves/muffin-tin orbitals, and supercell geometries. In harmony with experimental data, both methods agree in that there is only very small solubility between the elements and no formation of a stable intermetallic phase over the entire compositional range. For the hypothetical composition Sn{sub 2}Zn, a total of 30 different crystal structures was quantum-mechanically optimized, and the chemical bondings of Sn{sub 2}Zn adopting the CaF{sub 2} and HgBr{sub 2} structures were analyzed in detail; generally, the more ionic structure types are better suited for the Sn{sub 2}Zn composition than typical intermetallic ones. Theoretical enthalphy-pressure diagrams were generated to explore high-pressure compound formation, and the observed transition pressures between the {alpha}, {beta} and {gamma} allotropes of tin were correctly reproduced by electronic structure theory.

  13. Study of aluminum-doped silicon clusters

    International Nuclear Information System (INIS)

    Zhan Shichang; Li Baoxing; Yang Jiansong

    2007-01-01

    Using full-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method, we have investigated the effect of aluminum heteroatoms on the geometric structures and bond characteristics of Si n (n=5-10) clusters in detail. It is found that the geometric framework of the ground state structures for Si n (n=5-10) clusters change to some extent upon the substitution of Al atoms in some Si atoms. The effect of aluminum doping on the silicon clusters depends on the geometric structures of Si n (n=5-10) clusters. In particular, the calculations suggest that the aluminum doping would improve the bond strength of some Si-Si bonds in the mixed Si n - m Al m clusters

  14. Introduction to First-Principles Electronic Structure Methods: Application to Actinide Materials

    International Nuclear Information System (INIS)

    Klepeis, J E

    2005-01-01

    The purpose of this paper is to provide an introduction for non-experts to first-principles electronic structure methods that are widely used in the field of condensed-matter physics, including applications to actinide materials. The methods I describe are based on density functional theory (DFT) within the local density approximation (LDA) and the generalized gradient approximation (GGA). In addition to explaining the meaning of this terminology I also describe the underlying theory itself in some detail in order to enable a better understanding of the relative strengths and weaknesses of the methods. I briefly mention some particular numerical implementations of DFT, including the linear muffin-tin orbital (LMTO), linear augmented plane wave (LAPW), and pseudopotential methods, as well as general methodologies that go beyond DFT and specifically address some of the weaknesses of the theory. The last third of the paper is devoted to a few selected applications that illustrate the ideas discussed in the first two-thirds. In particular, I conclude by addressing the current controversy regarding magnetic DFT calculations for actinide materials. Throughout this paper particular emphasis is placed on providing the appropriate background to enable the non-expert to gain a better appreciation of the application of first-principles electronic structure methods to the study of actinide and other materials

  15. Effect of random vacancies on the electronic properties of graphene and T graphene: a theoretical approach

    Science.gov (United States)

    Sadhukhan, B.; Nayak, A.; Mookerjee, A.

    2017-12-01

    In this communication we present together four distinct techniques for the study of electronic structure of solids: the tight-binding linear muffin-tin orbitals, the real space and augmented space recursions and the modified exchange-correlation. Using this we investigate the effect of random vacancies on the electronic properties of the carbon hexagonal allotrope, graphene, and the non-hexagonal allotrope, planar T graphene. We have inserted random vacancies at different concentrations, to simulate disorder in pristine graphene and planar T graphene sheets. The resulting disorder, both on-site (diagonal disorder) as well as in the hopping integrals (off-diagonal disorder), introduces sharp peaks in the vicinity of the Dirac point built up from localized states for both hexagonal and non-hexagonal structures. These peaks become resonances with increasing vacancy concentration. We find that in presence of vacancies, graphene-like linear dispersion appears in planar T graphene and the cross points form a loop in the first Brillouin zone similar to buckled T graphene that originates from π and π* bands without regular hexagonal symmetry. We also calculate the single-particle relaxation time, τ (ěc {q}) of ěc {q} labeled quantum electronic states which originates from scattering due to presence of vacancies, causing quantum level broadening.

  16. Self-consistent electronic structure of the contracted tungsten (001) surface

    International Nuclear Information System (INIS)

    Posternak, M.; Krakauer, H.; Freeman, A.J.

    1982-01-01

    Self-consistent linearized-augmented-plane-wave energy-band studies using the warped muffin-tin approximation for a seven-layer W(001) single slab with the surface-layer separation contracted by 6% of the bulk interlayer spacing are reported. Surface electronic structure, local densities of states, generalized susceptibility for the surface, work function, and core-level shifts are found to have insignificant differences with corresponding results for the unrelaxed surface. Several differences in surface states between theory and recent angle-resolved photoemission experiments are discussed in the light of new proposed models of the actual unreconstructed surface structure at high temperatures

  17. Localization of periodic orbits of polynomial vector fields of even degree by linear functions

    Energy Technology Data Exchange (ETDEWEB)

    Starkov, Konstantin E. [CITEDI-IPN, Av. del Parque 1310, Mesa de Otay, Tijuana, BC (Mexico)] e-mail: konst@citedi.mx

    2005-08-01

    This paper is concerned with the localization problem of periodic orbits of polynomial vector fields of even degree by using linear functions. Conditions of the localization of all periodic orbits in sets of a simple structure are obtained. Our results are based on the solution of the conditional extremum problem and the application of homogeneous polynomial forms of even degrees. As examples, the Lanford system, the jerky system with one quadratic monomial and a quartically perturbed harmonic oscillator are considered.

  18. Localization of periodic orbits of polynomial vector fields of even degree by linear functions

    International Nuclear Information System (INIS)

    Starkov, Konstantin E.

    2005-01-01

    This paper is concerned with the localization problem of periodic orbits of polynomial vector fields of even degree by using linear functions. Conditions of the localization of all periodic orbits in sets of a simple structure are obtained. Our results are based on the solution of the conditional extremum problem and the application of homogeneous polynomial forms of even degrees. As examples, the Lanford system, the jerky system with one quadratic monomial and a quartically perturbed harmonic oscillator are considered

  19. Separated-orbit bisected energy-recovered linear accelerator

    Science.gov (United States)

    Douglas, David R.

    2015-09-01

    A separated-orbit bisected energy-recovered linear accelerator apparatus and method. The accelerator includes a first linac, a second linac, and a plurality of arcs of differing path lengths, including a plurality of up arcs, a plurality of downgoing arcs, and a full energy arc providing a path independent of the up arcs and downgoing arcs. The up arcs have a path length that is substantially a multiple of the RF wavelength and the full energy arc includes a path length that is substantially an odd half-integer multiple of the RF wavelength. Operation of the accelerator includes accelerating the beam utilizing the linacs and up arcs until the beam is at full energy, at full energy executing a full recirculation to the second linac using a path length that is substantially an odd half-integer of the RF wavelength, and then decelerating the beam using the linacs and downgoing arcs.

  20. An Investigation of the Electrical Short Circuit Characteristics of Tin Whiskers

    Science.gov (United States)

    Courey, Karim J.

    2008-01-01

    Existing risk simulations make the assumption that when a free tin whisker has bridged two adjacent exposed electrical conductors, the result is an electrical short circuit. This conservative assumption is made because shorting is a random event that has a currently unknown probability associated with it. Due to contact resistance electrical shorts may not occur at lower voltage levels. In this experiment, we study the effect of varying voltage on the breakdown of the contact resistance which leads to a short circuit. From this data we can estimate the probability of an electrical short, as a function of voltage, given that a free tin whisker has bridged two adjacent exposed electrical conductors. Also, three tin whiskers grown from the same Space Shuttle Orbiter card guide used in the aforementioned experiment were cross-sectioned and studied using a focused ion beam (FIB). The rare polycrystalline structure seen in the FIB cross section was confirmed using transmission electron microscopy (TEM). The FIB was also used to cross section two card guides to facilitate the measurement of the grain size to determine that the tin plating on the card guides had a bright finish.

  1. V{sub 1+x}Nb{sub 1-x}IrB{sub 2} (x ∼ 0.1), the first quaternary metal-rich -boride adopting the Mo{sub 2}IrB{sub 2}-type structure: Synthesis, crystal and electronic structure and bonding analysis

    Energy Technology Data Exchange (ETDEWEB)

    Goerens, Christian; Fokwa, Boniface P.T. [Institute of Inorganic Chemistry, RWTH Aachen University (Germany)

    2013-02-15

    Polycrystalline samples and single crystals of the new metal-rich boride V{sub 1+x}Nb{sub 1-x}IrB{sub 2} (x ∼ 0.1), were synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere and characterized by X-ray diffraction and EDX measurements. The crystal structure was refined on the basis of single crystal data. The new phase adopts the Mo{sub 2}IrB{sub 2}-type structure (space group Pnnm, no. 58) with the lattice parameters a = 7.301(7) Aa, b = 9.388(9) Aa and c = 3.206(5) Aa. It is the first quaternary representative of Mo{sub 2}IrB{sub 2}-type structure. The structure contains zigzag B{sub 4}-fragments with boron-boron distances of 1.83-1.85 Aa. The electronic density of states and crystal orbital Hamilton population (for bonding analysis) were calculated, using the linear muffin-tin orbital atomic sphere approximation (LMTO-ASA) method. According to these calculations, this metal-rich compound should be metallic, as expected. Furthermore, very strong boron-boron interactions are observed in the zigzag B{sub 4}-fragment and two significantly different Ir-B interactions are observed in the new phase and the prototype Mo{sub 2}IrB{sub 2}. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Crystal structure and chemical bonding analysis of BaPtCd{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Gulo, Fakhili [Department of Chemical Education, Sriwijaya University, Inderalaya 30662, South Sumatra (Indonesia); Koehler, Juergen [Max Planck Institut fuer Festkoerperforschung, Heisenbergstrasse 1, 70569 Stuttgart (Germany)

    2015-03-15

    The new ternary intermetallic phase, BaPtCd{sub 2}, was synthesized by solid-state reaction from direct combination of the elements in a stoichiometric mixture. The reaction was done at 850 C for 15 h, followed by an equilibration at 600 C for 4 d. The crystal structure was determined by X-ray diffraction method on a single crystal. BaPtCd{sub 2} is isotypic to MgCuAl{sub 2} and crystallizes in the orthorhombic space group Cmcm [a = 4.467(2), b = 11.143(4), c = 8.240(3) Aa, V = 410.2(3) Aa{sup 3}, and Z = 4]. Barium atoms are linked together forming zigzag chains. Cadmium atoms are bonded to each other forming six-membered rings of platinum centered boat and anti-boat conformations. BaPtCd{sub 2} contains 16 electrons per formula unit and belongs to the electron poorest compounds with MgCuAl{sub 2} type structure. Calculations based on the linear muffin-tin orbitals method in the atomic spheres approximation show that significant bonding states in BaPtCd{sub 2} are unoccupied. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Several new phases in RE-Mg-Ge systems (RE = rare earth metal) - syntheses, structures, and chemical bonding

    International Nuclear Information System (INIS)

    Suen, Nian-Tzu; Bobev, Svilen

    2012-01-01

    Reported are the synthesis and structural characterization of Ce_5Mg_8Ge_8 (its own structure type), CeMg_2_-_xGe_2_+_x (BaAl_4-type structure), RE_4Mg_7Ge_6 (RE = Ce-Nd, Sm; La_4Mg_7Ge_6-type structure), and RE_4Mg_5Ge_6 (RE = Ce, Pr; Tm_4Zn_5Ge_6-type structure). The structures of these compounds have been established by single-crystal and powder X-ray diffraction. These compounds are closely related to each other not only in their chemical compositions but also in their structures. A common structural feature of all are MgGe_4 tetrahedra, which are connected by corner- and/or edge-sharing into complex polyanionic frameworks with the rare-earth metal atoms filling the ''empty'' space. The structures are compared to known types of structures, and we have investigated the chemical bonding in Ce_5Mg_8Ge_8 with electronic structure calculations, which were carried out by the tight-bonding linear muffin-tin orbital (TB-LMTO) method. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. Ab initio screening methodology applied to the search for new permanent magnetic materials

    International Nuclear Information System (INIS)

    Drebov, Nedko; Gumbsch, Peter; Elsässer, Christian; Martinez-Limia, Alberto; Kunz, Lothar; Gola, Adrien; Eckl, Thomas; Shigematsu, Takashi

    2013-01-01

    In this paper a computational high-throughput screening (HTS) approach to the search for alternative permanent magnetic materials is presented. Systems considered for a start are binary intermetallic compounds composed of rare-earth (RE) and transition metal (TM) elements. With the tight-binding-linear muffin-tin-orbital-atomic-sphere-approximation (TB-LMTO-ASA) method of density functional theory (DFT) a variety of RE–TM intermetallic phases is investigated and their magnetic properties are obtained at rather low computational costs. Next, interstitial elements such as boron, carbon and nitrogen in these phases are considered. For promising candidate phases with high and stable spontaneous ferromagnetic polarization, the calculated local magnetic moments and exchange coupling parameters, as obtained from TB-LMTO-ASA calculations, are then used for Monte Carlo simulations to identify candidates with sufficiently high Curie temperatures (T c ). Finally, magnetocrystalline anisotropy constants (K 1 ) of the most promising candidate phases are calculated with accurate, potential-shape-unrestricted DFT calculations using the Vienna ab initio simulation package. The computational HTS procedure is illustrated by results for a selection of hard-magnetic RE–TM phases like RETM 5 , RE 2 TM 17 and RE 2 TM 14 B. (paper)

  5. A first principle study of phase stability, electronic structure and magnetic properties for Co{sub 2−x}Cr{sub x}MnAl Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Rached, H. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Rached, D., E-mail: rachdj@yahoo.fr [Laboratoire des Matériaux Magnétiques, Faculté des Sciences exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique de la Matière, (LPQ3M), Université de Mascara, Mascara 29000 (Algeria); Abidri, B.; Rabah, M.; Benkhettou, N. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Omran, S. Bin [Department of Physics and Astronomy, College of Science, King Saud University, P.O.Box 2455, Riyadh 11451 (Saudi Arabia)

    2015-04-01

    The structural stabilities, electronic and magnetic properties of Co{sub 2−x}Cr{sub x}MnAl alloys with (x=0,1 and 2) were investigated using the full-potential linear muffin-tin orbital (FP-LMTO) method, in the framework of the density functional theory (DFT) within the generalized gradient approximation (GGA) for the exchange correlation functional. The ground state properties including lattice parameter, bulk modulus for the two considered crystal structures Hg{sub 2}CuTi-Type (X-Type) and Cu{sub 2}MnAl-Type (L2{sub 1}-Type) are calculated. The half-metallicity within ferromagnetic ground state starts to appear in CoCrMnAl and Cr2MnAl. In the objective for the proposition of the new HM-FM in the Full-Heusler alloys, our results classified CoCrMnAl as new HM-FM material with high spin polarization. - Highlights: • Based on DFT calculations, Co2-xCrxMnAl Heusler alloys have been investigated. • The magnetic phase stability was determined from the total energy calculations. • The LMTO calculations have classified CoCrMnAl as new HM-FM material with high spin polarization.

  6. Surface shift of the occupied and unoccupied 4f levels of the rare-earth metals

    Science.gov (United States)

    Aldén, M.; Johansson, B.; Skriver, H. L.

    1995-02-01

    The surface energy shifts of the occupied and unoccupied 4f levels for the lanthanide metals have been calculated from first principles by means of a Green's-function technique within the tight-binding linear muffin-tin orbitals method. We use the concept of complete screening to identify the occupied and unoccupied 4f energy level shifts as the surface segregation energy of a 4fn-1 and 4fn+1 impurity atom, respectively, in a 4fn host metal. The calculations include both initial- and final-state effects and give values that are considerably lower than those measured on polycrystalline samples as well as those found in previous initial-state model calculations. The present theory agrees well with very recent high-resolution, single-crystal film measurements for Gd, Tb, Dy, Ho, Er, Tm, and Lu. We furthermore utilize the unique possibility offered by the lanthanide metals to clarify the roles played by the initial and the different final states of the core-excitation process, permitted by the fact that the so-called initial-state effect is identical upon 4f removal and 4f addition. Surface energy and work function calculations are also reported.

  7. Thermoelasticity at High Temperatures and Pressures for Ta

    International Nuclear Information System (INIS)

    Orlikowski, D; Soderlind, P; Moriarty, J A

    2004-01-01

    A new methodology for calculating high temperature and pressure elastic moduli in metals has been developed accounting for both the electron-thermal and ion-thermal contributions. Anharmonic and quasi-harmonic thermoelasticity for bcc tantalum have thereby been calculated and compared as a function of temperature (<12,000 K) and pressure (<10 Mbar). In this approach, the full potential linear muffin-tin orbital (FP-LMTO) method for the cold and electron-thermal contributions is closely coupled with ion-thermal contributions obtained via multi-ion, quantum-based interatomic potentials derived from model generalized pseudopotential theory (MGPT). For the later contributions two separate approaches are used. In one approach, the quasi-harmonic ion-thermal contribution is obtained through a Brillouin zone sum of the strain derivatives of the phonons, and in the other the anharmonic ion-thermal contribution is obtained directly through Monte Carlo (MC) canonical distribution averages of strain derivatives on the multi-ion potentials themselves. The resulting elastic moduli compare well in each method and to available ultrasonic measurements and diamond-anvil-cell compression experiments indicating minimal anharmonic effects in bcc tantalum over the considered pressure range

  8. Ab-initio electronic band structure calculations for beryllium chalcogenides

    International Nuclear Information System (INIS)

    Kalpana, G.; Pari, G.; Yousuf, Mohammad

    1997-01-01

    The first principle tight-binding linear muffin-tin orbital method within the local density approximation (LDA) has been used to calculate the ground state properties, structural phase transition and pressure dependence of band gap of BeS, BeSe and BeTe. We have calculated the energy-volume relations for these compounds in the B3 and B8 phases. The calculated lattice parameters, bulk modulus and the pressure-volume relation were found to be in good agreement with the recent experimental results. The calculated B3→B8 structural transition pressure for BeS, BeSe and BeTe agree well with the recent experimental results. Our calculations show that these compounds are indirect band gap (Γ-X) semiconductors at ambient conditions. The calculated band gap values are found to be underestimated by 20-30% which is due to the usage of LDA. After the structural transition to the B8 phase, BeS continues to be indirect band gap semiconductors and ultimately above 100 GPa it metallises, BeSe and BeTe are metallic at the B3→B8 structural transition. (author)

  9. Electronic structure investigation of oxidized aluminium films with electron momentum spectroscopy

    International Nuclear Information System (INIS)

    Guo, X.; Canney, S.; Kheifets, A.S.; Vos, M.; Fang, Z.; Utteridge, S.; McCarthy, I.E.; Weigold, E.

    1996-09-01

    Electron momentum spectroscopy (EMS) of (e, 2e) measurements with oxidized aluminium thin films have been performed. Due to the surface sensitive mature of the EMS spectrometer employed the measured (e, 2e) events come from the front oxidized layer as viewed by the electron detectors. The measurements show clearly two major features in the spectral momentum density distribution and they are related to the upper valence band and the lower valence band of aluminum oxide. The first is a 'dual parabola' energy-momentum dispersion pattern spanning about 8 eV in the upper valence band. This 'dual parabola' pattern has been qualitatively reproduced by a linear muffin-tin orbital (LMTO) calculation on spherically averaged α-A1 2 O 3 with nearly the same energy span. In the lower valence band, the LMTO calculation indicates a dispersion spanning about 5 eV, and the measured spectral momentum density plot shows a similar 'bowl' shape but with less dispersion. The possible causes which blur the dispersion in the lower valence band are discussed. Other features in the spectral momentum density distribution are also discussed and compared with the LMTO calculation. 45 refs., 1 tab., 10 figs

  10. On the electronic structure of phosphorus in nickel

    International Nuclear Information System (INIS)

    Stepanyuk, V.S.; Katsnelson, A.A.; Kozlov, A.V.; Farberovich, O.V.; Szasz, A.; Kojnok, J.

    1991-01-01

    The electronic density of states of the Ni-P amorphous system is calculated in a self-consistent way from first principles, using a KKR Green's-function method with a single perturbed muffin-tin potential in a periodic lattice. (orig.)

  11. On the electronic structure of phosphorus in nickel

    Energy Technology Data Exchange (ETDEWEB)

    Stepanyuk, V.S.; Katsnelson, A.A.; Kozlov, A.V. (Dept. of Solid State Physics, Lomonsov State Univ., Moscow (USSR)); Farberovich, O.V. (Dept. of Solid State Physics, Voronezh State Univ. (USSR)); Szasz, A.; Kojnok, J. (Lab. of Surface and Interface Physics, Eoetvoes Univ., Budapest (Hungary))

    1991-01-01

    The electronic density of states of the Ni-P amorphous system is calculated in a self-consistent way from first principles, using a KKR Green's-function method with a single perturbed muffin-tin potential in a periodic lattice. (orig.).

  12. Studies on Cementation of Tin on Copper and Tin Stripping from Copper Substrate

    Directory of Open Access Journals (Sweden)

    Rudnik E.

    2016-06-01

    Full Text Available Cementation of tin on copper in acid chloride-thiourea solutions leads to the formation of porous layers with a thickness dependent on the immersion time. The process occurs via Sn(II-Cu(I mechanism. Chemical stripping of tin was carried out in alkaline and acid solutions in the presence of oxidizing agents. It resulted in the dissolution of metallic tin, but refractory Cu3Sn phase remained on the copper surface. Electrochemical tin stripping allows complete tin removal from the copper substrate, but porosity and complex phase composition of the tin coating do not allow monitoring the process in unambiguous way.

  13. TIN-X

    DEFF Research Database (Denmark)

    Cannon, Daniel C; Yang, Jeremy J; Mathias, Stephen L

    2017-01-01

    between proteins and diseases, based on text mining data processed from scientific literature. In the current implementation, TIN-X supports exploration of data for G-protein coupled receptors, kinases, ion channels, and nuclear receptors. TIN-X supports browsing and navigating across proteins......Motivation: The increasing amount of peer-reviewed manuscripts requires the development of specific mining tools to facilitate the visual exploration of evidence linking diseases and proteins. Results: We developed TIN-X, the Target Importance and Novelty eXplorer, to visualize the association...

  14. Some remarks on the use of the effective medium approximation for the resistivity calculations in liquid noble metals

    International Nuclear Information System (INIS)

    Gorecki, J.

    1982-09-01

    The application of the effective medium approximation (EMA) to the muffin-tin model of liquid metal is considered. The triple correlation function is included in the expression for electrical resistivity. Good agreement with experimental data can be expected for liquid noble metals. (author)

  15. On the electrochemistry of tin oxide coated tin electrodes in lithium-ion batteries

    International Nuclear Information System (INIS)

    Böhme, Solveig; Edström, Kristina; Nyholm, Leif

    2015-01-01

    As tin based electrodes are of significant interest in the development of improved lithium-ion batteries it is important to understand the associated electrochemical reactions. In this work it is shown that the electrochemical behavior of SnO_2 coated tin electrodes can be described based on the SnO_2 and SnO conversion reactions, the lithium tin alloy formation and the oxidation of tin generating SnF_2. The CV, XPS and SEM data, obtained for electrodeposited tin crystals on gold substrates, demonstrates that the capacity loss often observed for SnO_2 is caused by the reformed SnO_2 layer serving as a passivating layer protecting the remaining tin. Capacities corresponding up to about 80 % of the initial SnO_2 capacity could, however, be obtained by cycling to 3.5 V vs. Li"+/Li. It is also shown that the oxidation of the lithium tin alloy is hindered by the rate of the diffusion of lithium through a layer of tin with increasing thickness and that the irreversible oxidation of tin to SnF_2 at potentials larger than 2.8 V vs. Li"+/Li is due to the fact that SnF_2 is formed below the SnO_2 layer. This improved electrochemical understanding of the SnO_2/Sn system should be valuable in the development of tin based electrodes for lithium-ion batteries.

  16. MAGIC NUCLEI: Tin-100 turns up

    International Nuclear Information System (INIS)

    Anon.

    1994-01-01

    In the same way as the Periodic Table of chemical elements reflects the successive filling of orbital electron shells, in nuclear physics the socalled 'magic' numbers correspond to closed shells of 2, 8, 20, 28, 50, 82, 126,... neutrons and/or protons. More tightly bound than other nuclei, these are the nuclear analogues of the inert gases. 'Doubly magic' nuclei have closed shells of both neutrons and protons. Examples in nature are helium-4 (2 protons and 2 neutrons), oxygen-16 (8 and 8), calcium-40 (20 and 20) and calcium-48 (20 and 28). Radioactive tin-132 (50+82) has been widely studied

  17. A study on linear and non-linear optical constants of Rhodamine B thin film deposited on FTO glass

    Science.gov (United States)

    Yahia, I. S.; Jilani, Asim; Abutalib, M. M.; AlFaify, S.; Shkir, M.; Abdel-wahab, M. Sh.; Al-Ghamdi, Attieh A.; El-Naggar, A. M.

    2016-06-01

    The aim of this research was to fabricate/deposit the good quality thin film of Rhodamine B dye on fluorine doped tin oxide glass substrate by the low cost spin coating technique and study their linear and nonlinear optical parameters. The thickness of the thin film was measured about 300 nm with alpha step system. The transmittance of the fabricated thin film was found to be above 75% corresponding to the fluorine doped tin oxide layer. The structural analysis was performed with X-rays diffraction spectroscopy. Atomic force microscope showed the topographic image of deposited thin film. Linear optical constant like absorption coefficient, band gap, and extinction index was calculated. The dielectric constant was calculated to know the optical response of Rhodamine B dye over fluorine doped tin oxide substrate. The nonlinear optical constant like linear optical susceptibility χ(1), nonlinear optical susceptibility χ(3), nonlinear refractive index (n2) were calculated by spectroscopic method. This method has advantage over the experimental method like Z-Scan for organic dye base semiconductors for future advance optoelectronics applications like dye synthesis solar cell.

  18. Whole Soy Flour Incorporated into a Muffin and Consumed at 2 Doses of Soy Protein Does Not Lower LDL Cholesterol in a Randomized, Double-Blind Controlled Trial of Hypercholesterolemic Adults.

    Science.gov (United States)

    Padhi, Emily Mt; Blewett, Heather J; Duncan, Alison M; Guzman, Randolph P; Hawke, Aileen; Seetharaman, Koushik; Tsao, Rong; Wolever, Thomas Ms; Ramdath, D Dan

    2015-12-01

    Soy protein may reduce coronary heart disease (CHD) risk by lowering LDL cholesterol, but few studies have assessed whether whole soy flour displays a similar effect. The aim of this study was to assess the dose effect of whole soy flour incorporated into muffins on plasma LDL cholesterol in hypercholesterolemic adults. Adults aged 30-70 y (n = 243) with elevated LDL cholesterol (≥3.0 and ≤5.0 mmol/L) were stratified by LDL cholesterol and randomly assigned to consume 2 soy muffins containing 25 g soy protein [high-dose soy (HDS)], 1 soy and 1 wheat muffin containing 12.5 g soy protein and 12.5 g whey protein [low-dose soy (LDS)], or 2 wheat muffins containing 25 g whey protein (control) daily for 6 wk while consuming a self-selected diet. Fasting blood samples were collected at weeks 0, 3, and 6 for analysis of plasma lipids [total, LDL, and HDL cholesterol and triglycerides (TGs)], glucose, insulin, C-reactive protein (CRP), and isoflavones. Blood pressures also were measured. Dietary intake was assessed at weeks 0 and 4 with the use of 3 d food records. Treatment effects were assessed with the use of intention-to-treat analysis with multiple imputation and LDL cholesterol as the primary outcome. In total, 213 (87.6%) participants completed the trial. Participants were primarily Caucasian (83%) and mostly female (63%), with a mean ± SD body mass index (in kg/m2) of 28.0 ± 4.6 and systolic and diastolic blood pressures of 122 ± 16 and 77 ± 11 mm Hg, respectively. Despite a dose-dependent increase in plasma isoflavones (P LDL cholesterol compared with control (mean ± SEM changes: control, -0.04 ± 0.05 mmol/L; HDS, 0.01 ± 0.05 mmol/L; and LDS, -0.04 ± 0.06 mmol/L). There were no significant treatment effects on total or HDL cholesterol, TGs, CRP, homeostatic model assessment of insulin resistance, blood pressure, or the Framingham 10-y CHD risk score. Consuming 12.5 or 25 g protein from defatted soy flour incorporated into muffins does not reduce LDL

  19. Extraosseal Ewing sarcoma as a rare cause of the blueberry muffin baby syndrome: A case report and the review of the literature

    Czech Academy of Sciences Publication Activity Database

    Křenová, Z.; Křen, L.; Blatný, J.; Falk, Martin; Kazakov, D.; Grossmann, P.; Shimada, H.; Štěrba, J.

    2011-01-01

    Roč. 33, č. 7 (2011), s. 733-735 ISSN 0193-1091 Grant - others:GA MŠk(CZ) LM2010004 Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702 Keywords : blueberry muffin baby syndrome * Ewing sarcoma * fluorescence in situ hybridization (FISH) Subject RIV: BO - Biophysics Impact factor: 1.197, year: 2011

  20. The complex metal-rich boride Ti1+xRh2-x+yIr3-yB3 (x=0.68, y=1.06) with a new structure type containing B4 zigzag fragments: Synthesis, crystal chemistry and theoretical calculations

    Science.gov (United States)

    Goerens, Christian; Fokwa, Boniface P. T.

    2012-08-01

    Polycrystalline samples and single crystals of the new complex boride Ti1+xRh2-x+yIr3-yB3 (x=0.68; y=1.06) were synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere and characterized by X-Ray diffraction as well as EDX measurements. The crystal structure was refined on the basis of single crystal data. The new phase, which represents a new structure type containing trans zigzag B4 fragments as well as isolated boron atoms crystallizes in the orthorhombic space group Pbam (Nr. 55) with the lattice parameters a=8.620(1) Å, b=14.995(2) Å and c=3.234(1) Å. First-principles density functional theory calculations using the Vienna ab-initio simulation package (VASP) were performed on an appropriate structural model (using a supercell approach) and the experimental crystallographic data could be reproduced accurately. Based on this model, the density of states and crystal orbital Hamilton population (for bonding analysis) were calculated, using the linear muffin-tin orbital atomic sphere approximation (LMTO-ASA) method. According to these calculations, this metal-rich compound should be metallic, as expected. Furthermore, very strong boron-boron interactions are observed in the trans zigzag B4 fragment, which induce a clear differentiation of two types of metal-boron contacts with different strength. The observed three-dimensional metal-metal interaction is in good agreement with the predicted metallic behavior.

  1. Comparative assessment of gastrointestinal irritant potency in man of tin(II) chloride and tin migrated from packaging.

    Science.gov (United States)

    Boogaard, Peter J; Boisset, Michel; Blunden, Steve; Davies, Scot; Ong, Teng Jin; Taverne, Jean-Pierre

    2003-12-01

    Tin is present in low concentrations in most canned foods and beverages, the highest levels being found in products packaged in unlacquered or partially lacquered tinplate cans. A limited number of case-reports of acute gastrointestinal disorders after consumption of food containing 100-500 mg/kg tin have been reported, but these reports suffer many insufficiencies. Controlled clinical studies on acute effects of tin migrated from packaging suggest a threshold concentration for adverse effects (AEs) of >730 mg/kg. Two separate randomised, single-centre, double-blind, crossover studies, enabling comparison of the tolerability of tin added as tin(II) chloride at concentrations of soup in 24 volunteers (Study 2) were carried out. Distribution studies were conducted to get insight in the acute AEs of low molecular weight (clear dose-response relationship was only observed when tin was added as tin(II) chloride in tomato juice. No clinically significant AEs were reported in Study 2 and comparison of the incidence of tin-related AEs showed no difference between the dose levels (including control). Tin species of low molecular weight in supernatant represented 31-32% of total tin in canned tomato soup versus 56-61% in juice freshly spiked with tin(II) chloride. Differences in the incidence of AEs following administration of tomato juice with 161 and 264 mg of tin per kg and tomato soup with 201 and 267 mg of tin per kg likely results from differences in the concentration of low molecular weight tin species and in the nature of tin complexes formed. The results of this work demonstrate that tin levels up to 267 mg/kg in canned food cause no AEs in healthy adults and support the currently proposed tin levels of 200 mg/kg and 250 mg/kg for canned beverages and canned foods, respectively, as safe levels for adults in the general population.

  2. A study on linear and non-linear optical constants of Rhodamine B thin film deposited on FTO glass

    Energy Technology Data Exchange (ETDEWEB)

    Yahia, I.S. [Nano-Science & Semiconductor Labs, Physics Department, Faculty of Education, Ain Shams University, Roxy, Cairo (Egypt); Department of Physics, Faculty of Science, King Khalid University, P.O. Box 9004, Abha (Saudi Arabia); Jilani, Asim, E-mail: asim.jilane@gmail.com [Centre of Nanotechnology, Physics Department-Faculty of Science-AL Faisaliah Campus, King Abdulaziz University, P.O. Box 80200, Jeddah 21589 (Saudi Arabia); Abutalib, M.M. [Centre of Nanotechnology, Physics Department-Faculty of Science-AL Faisaliah Campus, King Abdulaziz University, P.O. Box 80200, Jeddah 21589 (Saudi Arabia); AlFaify, S. [Nano-Science & Semiconductor Labs, Physics Department, Faculty of Education, Ain Shams University, Roxy, Cairo (Egypt); Shkir, M. [Department of Physics, Faculty of Science, King Khalid University, P.O. Box 9004, Abha (Saudi Arabia); Abdel-wahab, M.Sh.; Al-Ghamdi, Attieh A. [Centre of Nanotechnology, Physics Department-Faculty of Science-AL Faisaliah Campus, King Abdulaziz University, P.O. Box 80200, Jeddah 21589 (Saudi Arabia); El-Naggar, A.M. [Exploitation of Renewable Energy Applications in Saudi Arabia, Physics & Astronomy Department, College of Science, King Saud University, P.O.Box 2455, Riyadh 11451 (Saudi Arabia)

    2016-06-01

    The aim of this research was to fabricate/deposit the good quality thin film of Rhodamine B dye on fluorine doped tin oxide glass substrate by the low cost spin coating technique and study their linear and nonlinear optical parameters. The thickness of the thin film was measured about 300 nm with alpha step system. The transmittance of the fabricated thin film was found to be above 75% corresponding to the fluorine doped tin oxide layer. The structural analysis was performed with X-rays diffraction spectroscopy. Atomic force microscope showed the topographic image of deposited thin film. Linear optical constant like absorption coefficient, band gap, and extinction index was calculated. The dielectric constant was calculated to know the optical response of Rhodamine B dye over fluorine doped tin oxide substrate. The nonlinear optical constant like linear optical susceptibility χ{sup (1)}, nonlinear optical susceptibility χ{sup (3)}, nonlinear refractive index (n{sub 2}) were calculated by spectroscopic method. This method has advantage over the experimental method like Z-Scan for organic dye base semiconductors for future advance optoelectronics applications like dye synthesis solar cell.

  3. Hydrolysis of bis(dimethylamido)tin to tin (II) oxyhydroxide and its selective transformation into tin (II) or tin (IV) oxide

    KAUST Repository

    Khanderi, Jayaprakash

    2015-03-01

    Sn6O4(OH)4, a hydrolysis product of Sn(NMe2)2, is transformed to tin (II) or tin (IV) oxide by solid and solution phase processing. Tin (II) oxide is formed by heating Sn6O4(OH)4 at ≤200 °C in air or under inert atmosphere. Tin (IV) oxide nanoparticles are formed in the presence of a carboxylic acid and base in air at room temperature. IR spectroscopy, Raman spectroscopy, thermogravimetry (coupled with infrared spectroscopy), powder X-ray diffraction, high temperature X-ray diffraction, scanning electron and transmission electron microscopy are used for the characterization of Sn6O4(OH)4 and the investigation of its selective decomposition into SnO or SnO2. Spectroscopic and X-ray diffraction results indicate that SnO is formed by the removal of water from crystalline Sn6O4(OH)4. SEM shows octahedral morphology of the Sn6O4(OH)4, SnO and SnO2 with particle size from 400 nm-2 μm during solid state conversion. Solution phase transformation of Sn6O4(OH)4 to SnO2 occurs in the presence of potassium glutarate and oxygen. SnO2 particles are 15-20 nm in size.

  4. An Empirical Model for Estimating the Probability of Electrical Short Circuits from Tin Whiskers-Part I

    Science.gov (United States)

    Courey, Karim; Wright, Clara; Asfour, Shihab; Bayliss, Jon; Ludwig, Larry

    2008-01-01

    Existing risk simulations make the assumption that when a free tin whisker has bridged two adjacent exposed electrical conductors, the result is an electrical short circuit. This conservative assumption is made because shorting is a random event that has a currently unknown probability associated with it. Due to contact resistance, electrical shorts may not occur at lower voltage levels. In this experiment, we study the effect of varying voltage on the breakdown of the contact resistance which leads to a short circuit. From this data, we can estimate the probability of an electrical short, as a function of voltage, given that a free tin whisker has bridged two adjacent exposed electrical conductors. In addition, three tin whiskers grown from the same Space Shuttle Orbiter card guide used in the aforementioned experiment were cross sectioned and studied using a focused ion beam (FIB).

  5. Preparation of transparent conductive indium tin oxide thin films from nanocrystalline indium tin hydroxide by dip-coating method

    International Nuclear Information System (INIS)

    Koroesi, Laszlo; Papp, Szilvia; Dekany, Imre

    2011-01-01

    Indium tin oxide (ITO) thin films with well-controlled layer thickness were produced by dip-coating method. The ITO was synthesized by a sol-gel technique involving the use of aqueous InCl 3 , SnCl 4 and NH 3 solutions. To obtain stable sols for thin film preparation, as-prepared Sn-doped indium hydroxide was dialyzed, aged, and dispersed in ethanol. Polyvinylpyrrolidone (PVP) was applied to enhance the stability of the resulting ethanolic sols. The transparent, conductive ITO films on glass substrates were characterized by X-ray diffraction, scanning electron microscopy and UV-Vis spectroscopy. The ITO layer thickness increased linearly during the dipping cycles, which permits excellent controllability of the film thickness in the range ∼ 40-1160 nm. After calcination at 550 o C, the initial indium tin hydroxide films were transformed completely to nanocrystalline ITO with cubic and rhombohedral structure. The effects of PVP on the optical, morphological and electrical properties of ITO are discussed.

  6. Determination of total tin in silicate rocks by graphite furnace atomic absorption spectrometry

    Science.gov (United States)

    Elsheimer, H.N.; Fries, T.L.

    1990-01-01

    A method is described for the determination of total tin in silicate rocks utilizing a graphite furnace atomic absorption spectrometer with a stabilized-temperature platform furnace and Zeeman-effect background correction. The sample is decomposed by lithium metaborate fusion (3 + 1) in graphite crucibles with the melt being dissolved in 7.5% hydrochloric acid. Tin extractions (4 + 1 or 8 + 1) are executed on portions of the acid solutions using a 4% solution of tricotylphosphine oxide in methyl isobutyl ketone (MIBK). Ascorbic acid is added as a reducing agent prior to extraction. A solution of diammonium hydrogenphosphate and magnesium nitrate is used as a matrix modifier in the graphite furnace determination. The limit of detection is > 10 pg, equivalent to > 1 ??g l-1 of tin in the MIBK solution or 0.2-0.3 ??g g-61 in the rock. The concentration range is linear between 2.5 and 500 ??g l-1 tin in solution. The precision, measured as relative standard deviation, is < 20% at the 2.5 ??g l-1 level and < 7% at the 10-30 ??g l-1 level of tin. Excellent agreement with recommended literature values was found when the method was applied to the international silicate rock standards BCR-1, PCC-1, GSP-1, AGV-1, STM-1, JGb-1 and Mica-Fe. Application was made to the determination of tin in geological core samples with total tin concentrations of the order of 1 ??g g-1 or less.

  7. Positron confinement in embedded lithium nanoclusters

    Science.gov (United States)

    van Huis, M. A.; van Veen, A.; Schut, H.; Falub, C. V.; Eijt, S. W.; Mijnarends, P. E.; Kuriplach, J.

    2002-02-01

    Quantum confinement of positrons in nanoclusters offers the opportunity to obtain detailed information on the electronic structure of nanoclusters by application of positron annihilation spectroscopy techniques. In this work, positron confinement is investigated in lithium nanoclusters embedded in monocrystalline MgO. These nanoclusters were created by means of ion implantation and subsequent annealing. It was found from the results of Doppler broadening positron beam analysis that approximately 92% of the implanted positrons annihilate in lithium nanoclusters rather than in the embedding MgO, while the local fraction of lithium at the implantation depth is only 1.3 at. %. The results of two-dimensional angular correlation of annihilation radiation confirm the presence of crystalline bulk lithium. The confinement of positrons is ascribed to the difference in positron affinity between lithium and MgO. The nanocluster acts as a potential well for positrons, where the depth of the potential well is equal to the difference in the positron affinities of lithium and MgO. These affinities were calculated using the linear muffin-tin orbital atomic sphere approximation method. This yields a positronic potential step at the MgO||Li interface of 1.8 eV using the generalized gradient approximation and 2.8 eV using the insulator model.

  8. Structural phase stability of ThSb and ThAs under pressure

    International Nuclear Information System (INIS)

    Venkatasubramaniam, K.; Rajagopalan, M.; Palanivel, B.; Kalpana, G.

    1997-01-01

    The high-pressure behaviour of thorium monopnictides is of considerable interest as these systems exhibit structural phase transitions under pressure. At ambient conditions these compounds crystallize in the NaCl-type(B1) structure. Experiments show that with the application of pressure these compounds transform to the CsCl-type (B2) structure. ThSb and ThAs are found to exhibit B1-B2 transition in the pressure range between 9-12 GPa and 1826 GPa respectively. In this work, we present the electronic and high-pressure behaviour of ThAs and ThSb performed using the tight-binding linear muffin-tin orbital method. The total energies within the atomic sphere approximation were calculated as a function of volume for both the B1 and B2 structures. The total energy calculations reveal that both ThSb and ThAs are stable in the B1 structure at ambient conditions and undergo structural transition to the B2 structure at pressures 78 and 240 kbar respectively, which are in good agreement with the experimental values. The calculated values of equilibrium lattice parameter and the transition pressure are found to be in good agreement with the experimental results. (author)

  9. Electronic and optical properties of defect CdIn_2Te_4 chalcopyrite semiconductor: A first principle approach

    International Nuclear Information System (INIS)

    Mishra, S.; Ganguli, B.

    2016-01-01

    We present detailed study of structural, electronic and optical properties of CdIn_2Te_4 compound. The calculations are carried out using Density Functional theory based Tight Binding Linear Muffin Tin Orbital method. The compound is found to be direct band gap semiconductor with a band gap of 1.03 eV. The band gap is within the limit of LDA underestimation. The calculated structural parameters agree well with the available experimental values. We find a decrements of 9.6% in band gap and significant effects on overall electronic and optical properties due to structural distortions. These effects on optical properties come mainly from the change in transition probability. An-isotropic nature of optical properties get enhanced due to structural distortion. The Calculated real & imaginary parts of dielectric constant and static dielectric constant agree well with the available experimental result. - Highlights: • We present ab-initio calculations of electronic & optical properties of CdIn_2Te_4. • Band gap get reduced by 9.6% due to structural distortion. • Structural distortion has significant effects on optical properties. • Anisotropic nature of optical response functions get enhanced by structural distortion. • Calculated dielectric constant agrees with experimental value.

  10. Electronic structure of PrBa2Cu3O7: A local-spin-density approximation with on-site Coulomb interaction

    International Nuclear Information System (INIS)

    Biagini, M.; Calandra, C.; Ossicini, S.

    1995-01-01

    Electronic structure calculations based on the local-spin-density approximation (LSDA) fail to reproduce the antiferromagnetic ground state of PrBa 2 Cu 3 O 7 (PBCO). We have performed linear muffin-tin orbital--atomic sphere approximation calculations, based on the local-spin-density approximation with on-site Coulomb correlation applied to Cu(1) and Cu(2) 3d states. We have found that inclusion of the on-site Coulomb interaction modifies qualitatively the electronic structure of PBCO with respect to the LSDA results, and gives Cu spin moments in good agreement with the experimental values. The Cu(2) upper Hubbard band lies about 1 eV above the Fermi energy, indicating a Cu II oxidation state. On the other hand, the Cu(1) upper Hubbard band is located across the Fermi level, which implies an intermediate oxidation state for the Cu(1) ion, between Cu I and Cu II . The metallic character of the CuO chains is preserved, in agreement with optical reflectivity [K. Takenaka et al., Phys. Rev. B 46, 5833 (1992)] and positron annihilation experiments [L. Hoffmann et al., Phys. Rev. Lett. 71, 4047 (1993)]. These results support the view of an extrinsic origin of the insulating character of PrBa 2 Cu 3 O 7

  11. Optical and magneto-optical properties of single crystals of RFe{sub 2} (R = Gd, Tb, Ho, and Lu) and GdCo{sub 2} intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Lee, S.J.

    1999-02-12

    The author has studied the diagonal and off-diagonal optical conductivity of RFe{sub 2}(R = Gd, Tb, Ho, Lu) and GdCo{sub 2} single crystals grown by the flux method. Using spectroscopic ellipsometry the author has measured the dielectric function from 1.5 to 5.5 eV. The magneto-optical Kerr spectrometer at temperatures between 7 and 295 K and applied magnetic fields between 0.5 to 1.6 T. The apparatus and calibration method are described in detail. Using magneto-optical data and optical constants he derives the experimental value of the off-diagonal conductivity components. Theoretical calculations of optical conductivities and magneto-optical parameters were performed using the tight binding-linear muffin tin orbitals method within the local spin density approximation. He applied this TB-LMTO method to LuFe{sub 2}. The theoretical results obtained agree well with the experimental data. The oxidation effects on the diagonal part of the optical conductivity were considered using a three-phase model. The oxidation effects on the magneto-optical parameters were also considered by treating the oxide layer as a nonmagnetic thin transparent layer. These corrections change not only the magnitude but also the shape of the optical conductivity and the magneto-optical parameters.

  12. Whole Soy Flour Incorporated into a Muffin and Consumed at 2 Doses of Soy Protein Does Not Lower LDL Cholesterol in a Randomized, Double-Blind Controlled Trial of Hypercholesterolemic Adults12

    Science.gov (United States)

    Padhi, Emily MT; Blewett, Heather J; Duncan, Alison M; Guzman, Randolph P; Hawke, Aileen; Seetharaman, Koushik; Tsao, Rong; Wolever, Thomas MS; Ramdath, D Dan

    2015-01-01

    Background: Soy protein may reduce coronary heart disease (CHD) risk by lowering LDL cholesterol, but few studies have assessed whether whole soy flour displays a similar effect. Objective: The aim of this study was to assess the dose effect of whole soy flour incorporated into muffins on plasma LDL cholesterol in hypercholesterolemic adults. Methods: Adults aged 30–70 y (n = 243) with elevated LDL cholesterol (≥3.0 and ≤5.0 mmol/L) were stratified by LDL cholesterol and randomly assigned to consume 2 soy muffins containing 25 g soy protein [high-dose soy (HDS)], 1 soy and 1 wheat muffin containing 12.5 g soy protein and 12.5 g whey protein [low-dose soy (LDS)], or 2 wheat muffins containing 25 g whey protein (control) daily for 6 wk while consuming a self-selected diet. Fasting blood samples were collected at weeks 0, 3, and 6 for analysis of plasma lipids [total, LDL, and HDL cholesterol and triglycerides (TGs)], glucose, insulin, C-reactive protein (CRP), and isoflavones. Blood pressures also were measured. Dietary intake was assessed at weeks 0 and 4 with the use of 3 d food records. Treatment effects were assessed with the use of intention-to-treat analysis with multiple imputation and LDL cholesterol as the primary outcome. Results: In total, 213 (87.6%) participants completed the trial. Participants were primarily Caucasian (83%) and mostly female (63%), with a mean ± SD body mass index (in kg/m2) of 28.0 ± 4.6 and systolic and diastolic blood pressures of 122 ± 16 and 77 ± 11 mm Hg, respectively. Despite a dose-dependent increase in plasma isoflavones (P < 0.001), neither HDS nor LDS had a significant effect on LDL cholesterol compared with control (mean ± SEM changes: control, −0.04 ± 0.05 mmol/L; HDS, 0.01 ± 0.05 mmol/L; and LDS, −0.04 ± 0.06 mmol/L). There were no significant treatment effects on total or HDL cholesterol, TGs, CRP, homeostatic model assessment of insulin resistance, blood pressure, or the Framingham 10-y CHD risk score

  13. International strategic minerals inventory summary report; tin

    Science.gov (United States)

    Sutphin, D.M.; Sabin, A.E.; Reed, B.L.

    1990-01-01

    The International Strategic Minerals Inventory tin inventory contains records for 56 major tin deposits and districts in 21 countries. These countries accounted for 98 percent of the 10 million metric tons of tin produced in the period 1934-87. Tin is a good alloying metal and is generally nontoxic, and its chief uses are as tinplate for tin cans and as solder in electronics. The 56 locations consist of 39 lode deposits and 17 placers and contain almost 7.5 million metric tons of tin in identified economic resources (R1E) and another 1.5 million metric tons of tin in other resource categories. Most of these resources are in major deposits that have been known for over a hundred years. Lode deposits account for 44 percent of the R1E and 87 percent of the resources in other categories. Placer deposits make up the remainder. Low-income and middle-income countries, including Bolivia and Brazil and countries along the Southeast Asian Tin Belt such as Malaysia, Thailand, and Indonesia account for 91 percent of the R1E resources of tin and for 61 percent of resources in other categories. The United States has less than 0.05 percent of the world's tin R1E in major deposits. Available data suggest that the Soviet Union may have about 4 percent of resources in this category. The industrial market economy countries of the United States, Japan, Federal Republic of Germany, and the United Kingdom are major consumers of tin, whereas the major tin-producing countries generally consume little tin. The Soviet Union and China are both major producers and consumers of tin. At the end of World War II, the four largest tin-producing countries (Bolivia, the Belgian Congo (Zaire), Nigeria, and Malaysia) produced over 80 percent of the world's tin. In 1986, the portion of production from the four largest producers (Malaysia, Brazil, Soviet Union, Indonesia) declined to about 55 percent, while the price of tin rose from about $1,500 to $18,000 per metric ton. In response to tin shortages

  14. Calculating scattering matrices by wave function matching

    International Nuclear Information System (INIS)

    Zwierzycki, M.; Khomyakov, P.A.; Starikov, A.A.; Talanana, M.; Xu, P.X.; Karpan, V.M.; Marushchenko, I.; Brocks, G.; Kelly, P.J.; Xia, K.; Turek, I.; Bauer, G.E.W.

    2008-01-01

    The conductance of nanoscale structures can be conveniently related to their scattering properties expressed in terms of transmission and reflection coefficients. Wave function matching (WFM) is a transparent technique for calculating transmission and reflection matrices for any Hamiltonian that can be represented in tight-binding form. A first-principles Kohn-Sham Hamiltonian represented on a localized orbital basis or on a real space grid has such a form. WFM is based upon direct matching of the scattering-region wave function to the Bloch modes of ideal leads used to probe the scattering region. The purpose of this paper is to give a pedagogical introduction to WFM and present some illustrative examples of its use in practice. We briefly discuss WFM for calculating the conductance of atomic wires, using a real space grid implementation. A tight-binding muffin-tin orbital implementation very suitable for studying spin-dependent transport in layered magnetic materials is illustrated by looking at spin-dependent transmission through ideal and disordered interfaces. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. First-principles investigations of the five-layer modulated martensitic structure in Ni2Mn(AlxGa1-x) alloys

    International Nuclear Information System (INIS)

    Luo, H.B.; Li, C.M.; Hu, Q.M.; Kulkova, S.E.; Johansson, B.; Vitos, L.; Yang, R.

    2011-01-01

    In this paper, the five-layer modulated (5M) martensitic structures of Ni 2 Mn(Al x Ga 1-x ), with x = 0, 0.1 and 0.2, are investigated by the use of the exact muffin-tin orbital method in combination with the coherent potential approximation. The 5M martensite is modeled by varying c/a (shear) and wave-like displacements of the atoms on (1 1 0) plane (shuffle) scaled by η according to Martynov and Kokorin (J. Phys. III 2, 739 (1992)). For Ni 2 MnGa, we obtain 5M martensite with equilibrium c/a of 0.92 and η of 0.08, in reasonable agreement with the experiment results (0.94 and 0.06, respectively). c/a and η are linearly coupled to each other. Al-doping increases c/a and decreases η, but the linear c/a ∼ η coupling remains. Comparing the total energies of the 5M martensite and L2 1 austenite, we find that the martensite is more stable than the austenite. Al-doping increases the relative stability of the austenite and finally becomes energetically degenerated with the 5M martensite at an Al atomic fraction (x) of about 0.26. The relative phase stability is analyzed based on the calculated density of states. The calculated total magnetic moments μ 0 as a function of c/a exhibit a maximum around the equilibrium c/a. Al-doping reduces μ 0 .

  16. Synthesis and Mössbauer spectroscopy of formal tin(II) dichloride and dihydride species supported by Lewis acids and bases.

    Science.gov (United States)

    Al-Rafia, S M Ibrahim; Shynkaruk, Olena; McDonald, Sean M; Liew, Sean K; Ferguson, Michael J; McDonald, Robert; Herber, Rolfe H; Rivard, Eric

    2013-05-06

    (119)Sn Mössbauer spectroscopy was performed on a series of formal Sn(II) dichloride and dihydride adducts bound by either carbon- or phosphorus-based electron pair donors. Upon binding electron-withdrawing metal pentacarbonyl units to the tin centers in LB·SnCl2·M(CO)5 (LB = Lewis base; M = Cr or W), a significant decrease in isomer shift (IS) was noted relative to the unbound Sn(II) complexes, LB·SnCl2, consistent with removal of nonbonding s-electron density from tin upon forming Sn-M linkages (M = Cr and W). Interestingly, when the nature of the Lewis base in the series LB·SnCl2·W(CO)5 was altered, very little change in the IS values was noted, implying that the LB-Sn bonds were constructed with tin-based orbitals of large p-character (as supported by prior theoretical studies). In addition, variable temperature Mössbauer measurements were used to determine the mean displacement of the tin atoms in the solid state, a parameter that can be correlated with the degree of covalent bonding involving tin in these species.

  17. Chemistry of tin compounds and environment

    International Nuclear Information System (INIS)

    Ali, S.; Mazhar, M.; Mahmood, S.; Bhatti, M.H.; Chaudhary, M.A.

    1997-01-01

    Of the large volume of tin compounds reported in the literature, possible only 100 are commercially important. Tin compounds are a wide variety of purposes such as catalysts, stabilizers for many materials including polymer, biocidal agents, bactericides, insecticides, fungicides, wood preservatives, acaricides and anti fouling agents in paints, anticancer and antitumour agents, ceramic opacifiers, as textile additives, in metal finishing operations, as food additives and in electro conductive coating. All these applications make the environment much exposed to tin contamination. The application of organotin compounds as biocides account for about 30% of total tin consumption suggesting that the main environmental effects are likely to originate from this sector. Diorgano tins and mono-organo tins are used mainly in plastic industry which is the next big source for environmental pollution. In this presentation all environmental aspects of the use of tin compounds and the recommended preventive measures are discussed. (author)

  18. Synthesising highly reactive tin oxide using Tin(II2- ethylhexanoate polynucleation as precursor

    Directory of Open Access Journals (Sweden)

    Alejandra Montenegro Hernández

    2009-01-01

    Full Text Available Tin oxide is a widely used compound in technological applications, particularity as a catalyst, gas sensor and in making varistors, transparent conductors, electrocatalytic electrodes and photovoltaic cells. An ethylhexanoate tin salt, a carboxylic acid and poly-esterification were used for synthesising highly reactive tin oxide in the present study. Synthesis was controlled by Fourier transform infrared (FTIR spectroscopy and recording changes in viscosity. The tin oxide characteristics so obtained were determined using FTIR spectroscopy, X-ray diffraction (XRD and scanning electron microscopy (SEM. The SnO2 dust synthesised and heat-treated at 550°C yielded high density aggregates, having greater than 50 μm particle size. This result demonstrates the high reactivity of the ceramic powders synthesised here.

  19. Measuring the sustainability of tin in China.

    Science.gov (United States)

    Yang, Congren; Tan, Quanyin; Zeng, Xianlai; Zhang, Yuping; Wang, Zhishi; Li, Jinhui

    2018-09-01

    Tin is a component of many items used in daily activities, including solder in consumer electronics, tin can containing food and beverages, polyvinyl chloride stabilizers in construction products, catalysts in industrial processes, etc. China is the largest producer and consumer of refined tin, and more than 60% of this refined tin is applied in the electronics sector as solder. China is the leader in global economic growth; simultaneously, China is also a major producer and consumer of electrical and electronic equipment (EEE). Thus, future tin supply and demand in China are forecasted, based on the gross domestic product per capita and the average consumption of refined tin in past five years. Current tin reserves and identified resources in China can meet the future two decades of mine production, but import of tin will also be critical for China's future tin consumption. However, there will be a lot of uncertainty for import of tin from other countries. At the same time, virgin mining of geological ores is a process of high energy consumption and destruction of the natural environment. Hence recycling tin from Sn-bearing secondary resources like tailings and waste electrical and electronic equipment (WEEE) can not only address the shortage of tin mineral resources, but also save energy and protect the ecological environment. Copyright © 2018 Elsevier B.V. All rights reserved.

  20. Orbit Representations from Linear mod 1 Transformations

    Directory of Open Access Journals (Sweden)

    Carlos Correia Ramos

    2012-05-01

    Full Text Available We show that every point $x_0in [0,1]$ carries a representationof a $C^*$-algebra that encodes the orbit structure of thelinear mod 1 interval map $f_{eta,alpha}(x=eta x +alpha$. Such $C^*$-algebra is generated by partial isometries arising from the subintervals of monotonicity of the underlying map $f_{eta,alpha}$. Then we prove that such representation is irreducible. Moreover two such of representations are unitarily equivalent if and only if the points belong to the same generalized orbit, for every $alphain [0,1[$ and $etageq 1$.

  1. Enhancement of p-type mobility in tin monoxide by native defects

    KAUST Repository

    Granato, D. B.

    2013-05-31

    Transparent p-type materials with good mobility are needed to build completely transparent p-n junctions. Tin monoxide (SnO) is a promising candidate. A recent study indicates great enhancement of the hole mobility of SnO grown in Sn-rich environment [E. Fortunato et al., Appl. Phys. Lett. 97, 052105 (2010)]. Because such an environment makes the formation of defects very likely, we study defect effects on the electronic structure to explain the increased mobility. We find that Sn interstitials and O vacancies modify the valence band, inducing higher contributions of the delocalized Sn 5p orbitals as compared to the localized O 2p orbitals, thus increasing the mobility. This mechanism of valence band modification paves the way to a systematic improvement of transparent p-type semiconductors.

  2. Electronic Properties of Tin and Bismuth from Angular Correlation of Annihilation Photons

    DEFF Research Database (Denmark)

    Mogensen, O.E.; Trumpy, Georg

    1969-01-01

    ) deformed bismuth. For both metals, the single-crystal angular-correlation curves lie near to the free-electron parabola. The tin curves show more anisotropy than the bismuth curves. An important result is the clear anisotropy found in the high-momentum part of the curves—the tails—for both metals. Little......A linear slit setup has been used to obtain results of angular-correlation measurements in (a) tin single crystals in three orientations: [001], [100], and [110], (b) bismuth single crystals in four orientations: [111], [100], [1¯10], and [2¯1¯1], (c) solid and liquid tin and bismuth, and (d...... of the liquid-metal curves are smaller and of another form than the tails of polycrystalline curves; no Gaussian with only one adjustable constant factor can give a fit to both tails. No useful method for interpreting liquid-metal angular-correlation curves seems to exist. Two deformed bismuth samples gave...

  3. Low-temperature Synthesis of Tin(II) Oxide From Tin(II) ketoacidoximate Precursor

    KAUST Repository

    Alshankiti, Buthainah

    2015-01-01

    Sn (II) oxide finds numerous applications in different fields such as thin film transistors1, solar cells2 and sensors.3 In this study we present the fabrication of tin monoxide SnO by using Sn (II) ketoacid oximate complexes as precursors. Tin (II

  4. Acid-catalyzed kinetics of indium tin oxide etching

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jae-Hyeok; Kim, Seong-Oh; Hilton, Diana L. [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore); Centre for Biomimetic Sensor Science, Nanyang Technological University, 50 Nanyang Drive, 637553 (Singapore); Cho, Nam-Joon, E-mail: njcho@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore); Centre for Biomimetic Sensor Science, Nanyang Technological University, 50 Nanyang Drive, 637553 (Singapore); School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, 637459 (Singapore)

    2014-08-28

    We report the kinetic characterization of indium tin oxide (ITO) film etching by chemical treatment in acidic and basic electrolytes. It was observed that film etching increased under more acidic conditions, whereas basic conditions led to minimal etching on the time scale of the experiments. Quartz crystal microbalance was employed in order to track the reaction kinetics as a function of the concentration of hydrochloric acid and accordingly solution pH. Contact angle measurements and atomic force microscopy experiments determined that acid treatment increases surface hydrophilicity and porosity. X-ray photoelectron spectroscopy experiments identified that film etching is primarily caused by dissolution of indium species. A kinetic model was developed to explain the acid-catalyzed dissolution of ITO surfaces, and showed a logarithmic relationship between the rate of dissolution and the concentration of undisassociated hydrochloric acid molecules. Taken together, the findings presented in this work verify the acid-catalyzed kinetics of ITO film dissolution by chemical treatment, and support that the corresponding chemical reactions should be accounted for in ITO film processing applications. - Highlights: • Acidic conditions promoted indium tin oxide (ITO) film etching via dissolution. • Logarithm of the dissolution rate depended linearly on the solution pH. • Acid treatment increased ITO surface hydrophilicity and porosity. • ITO film etching led to preferential dissolution of indium species over tin species.

  5. Simultaneous effects of hydrostatic pressure and spin–orbit coupling on linear and nonlinear intraband optical absorption coefficients in a GaAs quantum ring

    International Nuclear Information System (INIS)

    Mughnetsyan, V.N.; Manaselyan, A.Kh.; Barseghyan, M.G.; Kirakosyan, A.A.

    2013-01-01

    In this paper the simultaneous effect of hydrostatic pressure and Rashba spin–orbit interaction on intraband linear and nonlinear light absorption has been investigated in cylindrical quantum ring. The one electron energy spectrum has been found using the effective mass approximation and diagonalization procedure. We have found that the Rashba interaction can lead both to the blue- or to the red-shift of the absorption spectrum depending on the transitions character, while the only red-shift is observed due to the hydrostatic pressure. - Highlights: ► The effects of hydrostatic pressure and spin–orbit coupling are investigated for quantum ring. ► The non-linear absorption coefficient is calculated. ► The hydrostatic pressure leads to the decrease in the absorption coefficient. ► Spin–orbit coupling weakens some transitions and strengthens others.

  6. Electronic structure and X-ray spectroscopic properties of YbNi_2P_2

    International Nuclear Information System (INIS)

    Shcherba, I.D.; Bekenov, L.V.; Antonov, V.N.; Noga, H.; Uskokovic, D.; Zhak, O.; Kovalska, M.V.

    2016-01-01

    Highlights: • We present new experimental and theoretical data for YbNi_2P_2. • The presence of divalent and trivalent Yb ion found in YbNi_2P_2. • The calculation show good agreement with the experimental measurements. - Abstract: X-ray absorption spectrum at the Yb L_3 edge and X-ray emission spectra of Ni and P at the K and L_2_,_3 edges have been studied experimentally and theoretically in the mixed valent compound YbNi_2P_2 with ThCr_2Si_2 type crystal structure. The electronic structure of YbNi_2P_2 is investigated using the fully relativistic Dirac linear muffin-tin orbital (LMTO) band-structure method. The effect of the spin–orbit (SO) interaction and Coulomb repulsion U on the electronic structure of YbNi_2P_2 is examined in the frame of the LSDA + SO + U method. The core-hole effect in the final states as well as the effect of the electric quadrupole E_2 transitions have been investigated. A good agreement between the theory and the experiment was found. Both the trivalent and the divalent Yb ions in YbNi_2P_2 are reflected in the experimentally measured Yb L_3 X-ray absorption spectrum simultaneously. We found that the best agreement between the experimental spectrum and sum of the theoretically calculated Yb"2"+ and Yb"3"+ spectra is achieved with 73% ytterbium ions in 2+ state and 27% ions in 3+ state.

  7. Structural studies of supported tin catalysts

    Science.gov (United States)

    Nava, Noel; Viveros, Tomás

    1999-11-01

    Tin oxide was supported on aluminium oxide, titanium oxide, magnesium oxide and silicon oxide, and the resulting interactions between the components in the prepared samples and after reduction were characterized by Mössbauer spectroscopy. It was observed that in the oxide state, tin is present as SnO2 on alumina, magnesia and silica, but on titania tin occupies Ti sites in the structure. After hydrogen treatment at high temperatures, tin is reduced from Sn(4) to Sn(2) on alumina and titania; it is reduced from Sn(4) to Sn(0) on silica, and is practically not reduced on magnesia. These results reveal the degree of interaction between tin and the different supports studied.

  8. Structural studies of supported tin catalysts

    International Nuclear Information System (INIS)

    Nava, Noel; Viveros, Tomas

    1999-01-01

    Tin oxide was supported on aluminium oxide, titanium oxide, magnesium oxide and silicon oxide, and the resulting interactions between the components in the prepared samples and after reduction were characterized by Moessbauer spectroscopy. It was observed that in the oxide state, tin is present as SnO 2 on alumina, magnesia and silica, but on titania tin occupies Ti sites in the structure. After hydrogen treatment at high temperatures, tin is reduced from Sn(4) to Sn(2) on alumina and titania; it is reduced from Sn(4) to Sn(0) on silica, and is practically not reduced on magnesia. These results reveal the degree of interaction between tin and the different supports studied

  9. A Palladium-Tin Modified Microband Electrode Array for Nitrate Determination

    Directory of Open Access Journals (Sweden)

    Yexiang Fu

    2015-09-01

    Full Text Available A microband electrode array modified with palladium-tin bimetallic composite has been developed for nitrate determination. The microband electrode array was fabricated by Micro Electro-Mechanical System (MEMS technique. Palladium and tin were electrodeposited successively on the electrode, forming a double-layer structure. The effect of the Pd-Sn composite was investigated and its enhancement of catalytic activity and lifetime was revealed. The Pd-Sn modified electrode showed good linearity (R2 = 0.998 from 1 mg/L to 20 mg/L for nitrate determination with a sensitivity of 398 μA/(mg∙L−1∙cm2. The electrode exhibited a satisfying analytical performance after 60 days of storage, indicating a long lifetime. Good repeatability was also displayed by the Pd-Sn modified electrodes. The results provided an option for nitrate determination in water.

  10. Density functional theory for calculation of elastic properties of orthorhombic crystals: Application to TiSi2

    International Nuclear Information System (INIS)

    Ravindran, P.; Fast, L.; Korzhavyi, P.A.; Johansson, B.; Wills, J.; Eriksson, O.

    1998-01-01

    A theoretical formalism to calculate the single crystal elastic constants for orthorhombic crystals from first principle calculations is described. This is applied for TiSi 2 and we calculate the elastic constants using a full potential linear muffin-tin orbital method using the local density approximation (LDA) and generalized gradient approximation (GGA). The calculated values compare favorably with recent experimental results. An expression to calculate the bulk modulus along crystallographic axes of single crystals, using elastic constants, has been derived. From this the calculated linear bulk moduli are found to be in good agreement with the experiments. The shear modulus, Young's modulus, and Poisson's ratio for ideal polycrystalline TiSi 2 are also calculated and compared with corresponding experimental values. The directional bulk modulus and the Young's modulus for single crystal TiSi 2 are estimated from the elastic constants obtained from LDA as well as GGA calculations and are compared with the experimental results. The shear anisotropic factors and anisotropy in the linear bulk modulus are obtained from the single crystal elastic constants. From the site and angular momentum decomposed density of states combined with a charge density analysis and the elastic anisotropies, the chemical bonding nature between the constituents in TiSi 2 is analyzed. The Debye temperature is calculated from the average elastic wave velocity obtained from shear and bulk modulus as well as the integration of elastic wave velocities in different directions of the single crystal. The calculated elastic properties are found to be in good agreement with experimental values when the generalized gradient approximation is used for the exchange and correlation potential. copyright 1998 American Institute of Physics

  11. Structural, dynamical & electronic properties of CaCuO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Agrawal, B.K.; Agrawal, S. [Allahabad Univ. (India)

    1994-12-31

    The scalar relativistic version of an accurate first principles full potential self- consistent linearized muffin tin orbital (LMTO) method has been employed for describing the physical properties of the parent system of the high-Tc oxide superconductors, i.e., CaCuO2. The presently employed modified version of the LMTO method is quite fast and goes beyond the usual LMTO-ASA method in the sense that it permits a completely general shape of the potential and the charge density. Also, in contrast to LMTO-ASA, the present method is also capable of treating distorted lattice structures accurately. The calculated values of the lattice parameters of pure CaCuO2 lie within 3% of the experimentally measured values for the Sr-doped system Ca(.86)Sr(.14)CuO(2). The computed electronic structures and the density of states is quite similar to those of the other oxide superconductors, except of their three- dimensional character because of the presence of strong coupling between the closely spaced CuO2 layers. The van Hove singularity peak appears slightly below the Fermi level and a small concentration of oxygenation /or/ substitutional doping may pin it as the Fermi level. The calculated frequencies for some symmetric frozen phonons for undoped CaCuO2 are quite near to the measured data for the Sr-doped CaCuO2.

  12. Electrochemical dissolution of tin in methanesulphonic acid solutions

    NARCIS (Netherlands)

    de Greef, R.A.T.; Janssen, L.J.J.

    2001-01-01

    High-rate electroplating of tin on a moving steel strip is generally carried out in cells with dimensionally stable anodes. To obtain a matt tin deposit a concentrated acidic tin methanesulphonate solution containing a small concentration of sulphuric acid is used. The concentrated tin

  13. Tin-antimony oxide oxidation catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Berry, Frank J. [Open University, Department of Chemistry (United Kingdom)

    1998-12-15

    Tin-antimony oxide catalysts for the selective oxidation of hydrocarbons have been made by precipitation techniques. The dehydration of the amorphous dried precipitate by calcination at increasingly higher temperatures induces the crystallisation of a rutile-related tin dioxide-type phase and the segregation of antimony oxides which volatilise at elevated temperatures. The rutile-related tin dioxide-type phase contains antimony(V) in the bulk and antimony(III) in the surface. Specific catalytic activity for the oxidative dehydrogenation of butene to butadiene is associated with materials with large concentrations of antimony(III) in the surface.

  14. The Coupled Orbit-Attitude Dynamics and Control of Electric Sail in Displaced Solar Orbits

    Directory of Open Access Journals (Sweden)

    Mingying Huo

    2017-01-01

    Full Text Available Displaced solar orbits for spacecraft propelled by electric sails are investigated. Since the propulsive thrust is induced by the sail attitude, the orbital and attitude dynamics of electric-sail-based spacecraft are coupled and required to be investigated together. However, the coupled dynamics and control of electric sails have not been discussed in most published literatures. In this paper, the equilibrium point of the coupled dynamical system in displaced orbit is obtained, and its stability is analyzed through a linearization. The results of stability analysis show that only some of the orbits are marginally stable. For unstable displaced orbits, linear quadratic regulator is employed to control the coupled attitude-orbit system. Numerical simulations show that the proposed strategy can control the coupled system and a small torque can stabilize both the attitude and orbit. In order to generate the control force and torque, the voltage distribution problem is studied in an optimal framework. The numerical results show that the control force and torque of electric sail can be realized by adjusting the voltage distribution of charged tethers.

  15. Periodic orbits around areostationary points in the Martian gravity field

    International Nuclear Information System (INIS)

    Liu Xiaodong; Baoyin Hexi; Ma Xingrui

    2012-01-01

    This study investigates the problem of areostationary orbits around Mars in three-dimensional space. Areostationary orbits are expected to be used to establish a future telecommunication network for the exploration of Mars. However, no artificial satellites have been placed in these orbits thus far. The characteristics of the Martian gravity field are presented, and areostationary points and their linear stability are calculated. By taking linearized solutions in the planar case as the initial guesses and utilizing the Levenberg-Marquardt method, families of periodic orbits around areostationary points are shown to exist. Short-period orbits and long-period orbits are found around linearly stable areostationary points, but only short-period orbits are found around unstable areostationary points. Vertical periodic orbits around both linearly stable and unstable areostationary points are also examined. Satellites in these periodic orbits could depart from areostationary points by a few degrees in longitude, which would facilitate observation of the Martian topography. Based on the eigenvalues of the monodromy matrix, the evolution of the stability index of periodic orbits is determined. Finally, heteroclinic orbits connecting the two unstable areostationary points are found, providing the possibility for orbital transfer with minimal energy consumption.

  16. Real-space calculations of nonspherically averaged charge densities for substitutionally disordered alloys

    International Nuclear Information System (INIS)

    Singh, P.P.; Gonis, A.

    1993-01-01

    Based on screening transformations of muffin-tin orbitals introduced by Andersen and Jepsen [Phys. Rev. Lett. 53, 2571 (1984)], we have developed a formalism for calculating the nonspherically averaged charge densities of substitutionally disordered alloys using the Korringa-Kohn-Rostoker coherent-potential-approximation (KKR CPA) method in the atomic-sphere approximation (ASA). We have validated our method by calculating charge densities for ordered structures, where we find that our approach yields charge densities that are essentially indistinguishable from the results of full-potential methods. Calculations and comparisons are reported for Si, Al, and Li. For substitutionally disordered alloys, where full-potential methods have not been implemented so far, our approach can be used to calculate reliable nonspherically averaged charge densities from spherically symmetric one-electron potentials obtained from the KKR-ASA CPA. We report on our study of differences in charge density between ordered AlLi in the L1 0 phase and substitutionally disordered Al 0.5 Li 0.5 on a face-centered-cubic lattice

  17. Tin Content Determination in Canned Fruits and Vegetables by Hydride Generation Inductively Coupled Plasma Optical Emission Spectrometry

    Directory of Open Access Journals (Sweden)

    Sanda Rončević

    2012-01-01

    Full Text Available Tin content in samples of canned fruits and vegetables was determined by hydride generation inductively coupled plasma atomic emission spectrometry (HG-ICP-OES, and it was compared with results obtained by standard method of flame atomic absorption spectrometry (AAS. Selected tin emission lines intensity was measured in prepared samples after addition of tartaric acid and followed by hydride generation with sodium borohydride solution. The most favorable line at 189.991 nm showed the best detection limit (1.9 μg L−1 and limit of quantification (6.4 μg kg−1. Good linearity and sensitivity were established from time resolved analysis and calibration tests. Analytical accuracy of 98–102% was obtained by recovery study of spiked samples. Method of standard addition was applied for tin determination in samples from fully protected tinplate. Tin presence at low-concentration range was successfully determined. It was shown that tenth times less concentrations of Sn were present in protected cans than in nonprotected or partially protected tinplate.

  18. Conversion electron Moessbauer spectroscopic studies on the chemical states of surface layers of corroded tin plates and tin-coated iron plates

    International Nuclear Information System (INIS)

    Kato, Akinori; Endo, Kazutoyo; Sano, Hirotoshi

    1980-01-01

    By means of the conversion electron Moessbauer spectroscopy (CEMS), we studied surface layers of ''tin'' plates and tin-coated iron plates corroded by various acids. Transmission Moessbauer spectra and X-ray diffraction patterns were also measured. Metastannic acid was formed, when the ''tin'' plate was corroded by nitric acid solution. In corrosion by phosphoric acid solution, the X-ray diffractometry revealed the formation of tin(IV) pyrophosphate. In corrosion by various organic acid solutions, the formation of oxides was identified by the 119 Sn CEMS, but not by the X-ray diffractometry because of the too thin corrosion layer. In corrosion of tin-coated iron plates, maleic acid, malonic acid, formic acid, and oxalic acid were used. It was determined by CEMS that the corrosion products caused by these acids were tin(IV) oxides, although they could not be identified by the X-ray diffractometry. CEMS also confirmed that the surface of uncorroded tin-coated iron plate was already oxidized by air. Colorimetric determinations of Sn and Fe dissolved from tin-coated iron plates to various acid solutions confirmed that maleic acid had the strongest corrosion effect among the organic acids studied. (author)

  19. Electronic structure and X-ray spectroscopic properties of YbNi{sub 2}P{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Shcherba, I.D., E-mail: ishcherba@gmail.com [Institute of Technology, University of Pedagogy, Podchorazych 2, 30-084 Krakow (Poland); Lviv National University by Ivan Franko, Lviv (Ukraine); Bekenov, L.V.; Antonov, V.N. [Institute for Metal Physics, 36 Vernadsky Street, 03142 Kiev (Ukraine); Noga, H. [Institute of Technology, University of Pedagogy, Podchorazych 2, 30-084 Krakow (Poland); Uskokovic, D. [Institute of Technical Sciences, SASA, Belgrade (Serbia); Zhak, O.; Kovalska, M.V. [Lviv National University by Ivan Franko, Lviv (Ukraine)

    2016-10-15

    Highlights: • We present new experimental and theoretical data for YbNi{sub 2}P{sub 2}. • The presence of divalent and trivalent Yb ion found in YbNi{sub 2}P{sub 2}. • The calculation show good agreement with the experimental measurements. - Abstract: X-ray absorption spectrum at the Yb L{sub 3} edge and X-ray emission spectra of Ni and P at the K and L{sub 2,3} edges have been studied experimentally and theoretically in the mixed valent compound YbNi{sub 2}P{sub 2} with ThCr{sub 2}Si{sub 2} type crystal structure. The electronic structure of YbNi{sub 2}P{sub 2} is investigated using the fully relativistic Dirac linear muffin-tin orbital (LMTO) band-structure method. The effect of the spin–orbit (SO) interaction and Coulomb repulsion U on the electronic structure of YbNi{sub 2}P{sub 2} is examined in the frame of the LSDA + SO + U method. The core-hole effect in the final states as well as the effect of the electric quadrupole E{sub 2} transitions have been investigated. A good agreement between the theory and the experiment was found. Both the trivalent and the divalent Yb ions in YbNi{sub 2}P{sub 2} are reflected in the experimentally measured Yb L{sub 3} X-ray absorption spectrum simultaneously. We found that the best agreement between the experimental spectrum and sum of the theoretically calculated Yb{sup 2+} and Yb{sup 3+} spectra is achieved with 73% ytterbium ions in 2+ state and 27% ions in 3+ state.

  20. Interfacial electronic charge transfer and density of states in short period Cu/Cr multilayers; TOPICAL

    International Nuclear Information System (INIS)

    Barbee, T W; Bello, A F; Klepeis, J E; Van Buuren, T

    1999-01-01

    Nanometer period metallic multilayers are ideal structures to investigate electronic phenomena at interfaces between metal films since interfacial atoms comprise a large atomic fraction of the samples. The Cu/Cr binary pair is especially suited to study the interfaces in metals since these elements are mutually insoluble, thus eliminating mixing effects and compound formation and the lattice mismatch is very small. This allows the fabrication of high structural quality Cu/Cr multilayers that have a structure which can be approximated in calculations based on idealized atomic arrangements. The electronic structure of the Cu and the Cr layers in several samples of thin Cu/Cr multilayers were studied using x-ray absorption spectroscopy (XAS). Total electron yield was measured and used to study the white lines at the Cu L(sub 2) and L(sub 3) absorption edges. The white lines at the Cu absorption edges are strongly related to the unoccupied d-orbitals and are used to calculate the amount of charge transfer between the Cr and Cu atoms in interfaces. Analysis of the Cu white lines show a charge transfer of 0.026 electrons/interfacial Cu atom to the interfacial Cr atoms. In the Cu XAS spectra we also observe a van Hove singularity between the L(sub 2) and L(sub 3) absorption edges as expected from the structural analysis. The absorption spectra are compared to partial density of states obtained from a full-potential linear muffin-tin orbital calculation. The calculations support the presence of charge transfer and indicate that it is localized to the first two interfacial layers in both Cu and Cr

  1. Magnetic instability with increasing hybridization in cerium compounds

    International Nuclear Information System (INIS)

    Kioussis, N.; Cooper, B.R.; Wills, J.M.

    1991-01-01

    A synthesis of a phenomenological theory of orbitally driven magnetic ordering of moderately delocalized light rare-earth systems and ab initio electronic structure calculations has been applied to investigate the change in magnetic behavior on going from CeSb to CeTe, both of which have rocksalt structure with a small decrease in lattice parameter. The hybridization-potential matrix elements and the band energies entering the Anderson-lattice Hamiltonian are obtained from linear-muffin-tin-orbital (LMTO) electronic-structure calculations with the Ce 4f states treated as core states. The position of the Ce 4f energy level relative to the Fermi energy and the intra-atomic Coulomb energy U are obtained by use of a sequence of three total-energy supercell calculations with one out of four Ce sites constrained to f n occupation with n=0,1,2, successively. The calculations elucidate the origins, in the electronic structure, of the variation of the f-state resonance width and hybridization potential on going from CeSb to CeTe, and the resultant sensitivity of the hybridization dressing of the crystal-field splitting and the hybridization-induced exchange interactions to chemical environment. The effect of opening up successive angular momentum scattering channels of the ab initio calculated two-ion exchange-interaction matrix on the nature of the magnetic ordering is examined. The calculated magnitude and range dependence of the two-ion exchange interactions changes sharply from CeSb to CeTe, yielding a change in magnetic behavior in qualitative agreement with experiment. The nonlinear hybridization effects on the hybridization dressing of the crystal-field splitting have been examined

  2. Directly smelted lead-tin alloys: A historical perspective

    Science.gov (United States)

    Dube, R. K.

    2010-08-01

    This paper discusses evidence related to the genesis and occurrence of mixed lead-tin ore deposit consisting of cassiterite and the secondary minerals formed from galena. These evidences belong to a very long time period ranging from pre-historic to as late as the nineteenth century a.d. This type of mixed ore deposits was smelted to prepare lead-tin alloys. The composition of the alloy depended on the composition of the starting ore mixture. A nineteenth century evidence for the production of directly smelted lead-tin alloys in southern Thailand is discussed. A unique and rather uncommon metallurgical terminology in Sanskrit language— Nāgaja—was introduced in India for the tin recovered from impure lead. This suggests that Indians developed a process for recovering tin from lead-tin alloys, which in all probability was based on the general principle of fire refining. It has been shown that in the context of India the possibility of connection between the word Nāgaja and the directly smelted lead-tin alloys cannot be ruled out.

  3. Toxicology of inorganic tin

    International Nuclear Information System (INIS)

    Burba, J.V.

    1982-01-01

    Tin(II) or stannous ion as a reducing agent is important in nuclear medicine because it is an essential component and common denominator for many in vivo radiodiagnostic agents, commonly called kits for the preparation of radiopharmaceuticals. This report is intended to alert nuclear medicine community regarding the wide range of biological effects that the stannous ion is capable of producing, and is a review of a large number of selected publications on the toxicological potential of tin(II)

  4. Nucleon molecular orbitals and the transition mechanism between molecular orbitals in nucleus-nucleus collisions

    International Nuclear Information System (INIS)

    Imanishi, B.; Misono, S.; von Oertzen, W.; Voit, H.

    1988-08-01

    The molecular orbitals of the nucleon(s) in nucleus-nucleus collisions are dynamically defined as a linear combination of nucleon single-particle orbits (LCNO) in a rotating frame by using the coupled-reaction-channel (CRC) theory. Nucleon molecular orbitals and the promotions of nucleon, - especially due to the Landau-Zener radial coupling are discussed with the method above mentioned. (author)

  5. Orbit Propagation and Determination of Low Earth Orbit Satellites

    Directory of Open Access Journals (Sweden)

    Ho-Nien Shou

    2014-01-01

    Full Text Available This paper represents orbit propagation and determination of low Earth orbit (LEO satellites. Satellite global positioning system (GPS configured receiver provides position and velocity measures by navigating filter to get the coordinates of the orbit propagation (OP. The main contradictions in real-time orbit which is determined by the problem are orbit positioning accuracy and the amount of calculating two indicators. This paper is dedicated to solving the problem of tradeoffs. To plan to use a nonlinear filtering method for immediate orbit tasks requires more precise satellite orbit state parameters in a short time. Although the traditional extended Kalman filter (EKF method is widely used, its linear approximation of the drawbacks in dealing with nonlinear problems was especially evident, without compromising Kalman filter (unscented Kalman Filter, UKF. As a new nonlinear estimation method, it is measured at the estimated measurements on more and more applications. This paper will be the first study on UKF microsatellites in LEO orbit in real time, trying to explore the real-time precision orbit determination techniques. Through the preliminary simulation results, they show that, based on orbit mission requirements and conditions using UKF, they can satisfy the positioning accuracy and compute two indicators.

  6. Characterization of tin selenides synthesized by high-energy milling

    Directory of Open Access Journals (Sweden)

    Marcela Achimovičová

    2011-12-01

    Full Text Available Tin selenides SnSeX (x=1,2 were synthesized from tin and selenium powder precursors by high-energy milling in the planetary ballmill Pulverisette 6 (Fritsch, Germany. The orthorhombic tin selenide SnSe and the hexagonal tin diselenide SnSe2 phases were formed after4 min and 5 min of milling, respectively. Specific surface area of both selenides increased with increasing time of mechanochemicalsynthesis. The particle size distribution analysis demonstrated that the synthesized products contain agglomerated selenide particlesconsisting of numerous idiomorphic tin selenide crystals, measuring from 2 to more than 100 nm in diameter, which were also documentedby TEM. UV-Vis spectrophotometry confirmed that tin selenide particles do not behave as quantum dots.

  7. Preparation of textural lamellar tin deposits via electrodeposition

    Science.gov (United States)

    Wen, Xiaoyu; Pan, Xiaona; Wu, Libin; Li, Ruinan; Wang, Dan; Zhang, Jinqiu; Yang, Peixia

    2017-06-01

    Lamellar tin deposits were prepared by galvanostatical electroplating from the aqueous acidic-sulfate bath, with gelatin and benzalacetone dissolved in ethanol (ABA+EtOH) as additive, and their morphologies were investigated by scanning electron microscopy. Cathodic polarization curves revealed that the absorbability of ABA+EtOH on the cathode surface was higher than that of gelatin. X-ray diffraction analysis indicated preferred orientations of tin growth led to the formation of lamellar structure and distortion of tin lattice. The growth mechanism of lamellar tin was also discussed.

  8. Tailoring spin-orbit torque in diluted magnetic semiconductors

    KAUST Repository

    Li, Hang; Wang, Xuhui; Doǧan, Fatih; Manchon, Aurelien

    2013-01-01

    We study the spin orbit torque arising from an intrinsic linear Dresselhaus spin-orbit coupling in a single layer III-V diluted magnetic semiconductor. We investigate the transport properties and spin torque using the linear response theory, and we report here: (1) a strong correlation exists between the angular dependence of the torque and the anisotropy of the Fermi surface; (2) the spin orbit torque depends nonlinearly on the exchange coupling. Our findings suggest the possibility to tailor the spin orbit torque magnitude and angular dependence by structural design.

  9. Tailoring spin-orbit torque in diluted magnetic semiconductors

    KAUST Repository

    Li, Hang

    2013-05-16

    We study the spin orbit torque arising from an intrinsic linear Dresselhaus spin-orbit coupling in a single layer III-V diluted magnetic semiconductor. We investigate the transport properties and spin torque using the linear response theory, and we report here: (1) a strong correlation exists between the angular dependence of the torque and the anisotropy of the Fermi surface; (2) the spin orbit torque depends nonlinearly on the exchange coupling. Our findings suggest the possibility to tailor the spin orbit torque magnitude and angular dependence by structural design.

  10. Approximative analytic eigenvalues for orbital excitations in the case of a coulomb potential plus linear and quadratic radial terms

    International Nuclear Information System (INIS)

    Rekab, S.; Zenine, N.

    2006-01-01

    We consider the three dimensional non relativistic eigenvalue problem in the case of a Coulomb potential plus linear and quadratic radial terms. In the framework of the Rayleigh-Schrodinger Perturbation Theory, using a specific choice of the unperturbed Hamiltonian, we obtain approximate analytic expressions for the eigenvalues of orbital excitations. The implications and the range of validity of the obtained analytic expression are discussed

  11. IMPEDANCE SPECTROSCOPY OF POLYCRYSTALLINE TIN DIOXIDE FILMS

    Directory of Open Access Journals (Sweden)

    D. V. Adamchuck

    2016-01-01

    Full Text Available The aim of this work is the analysis of the influence of annealing in an inert atmosphere on the electrical properties and structure of non-stoichiometric tin dioxide films by means of impedance spectroscopy method. Non-stoichiometric tin dioxide films were fabricated by two-step oxidation of metallic tin deposited on the polycrystalline Al2O3 substrates by DC magnetron sputtering. In order to modify the structure and stoichiometric composition, the films were subjected to the high temperature annealing in argon atmosphere in temperature range 300–800 °С. AC-conductivity measurements of the films in the frequency range 20 Hz – 2 MHz were carried out. Variation in the frequency dependencies of the real and imaginary parts of the impedance of tin dioxide films was found to occur as a result of high-temperature annealing. Equivalent circuits for describing the properties of films with various structure and stoichiometric composition were proposed. Possibility of conductivity variation of the polycrystalline tin dioxide films as a result of аnnealing in an inert atmosphere was demonstrated by utilizing impedance spectroscopy. Annealing induces the recrystallization of the films, changing in their stoichiometry as well as increase of the sizes of SnO2 crystallites. Variation of electrical conductivity and structure of tin dioxide films as a result of annealing in inert atmosphere was confirmed by X-ray diffraction analysis. Analysis of the impedance diagrams of tin dioxide films was found to be a powerful tool to study their electrical properties. 

  12. Mitigating tin whisker risks theory and practice

    CERN Document Server

    Handwerker, Carol A; Bath, Jasbir

    2016-01-01

    Discusses the growth mechanisms of tin whiskers and the effective mitigation strategies necessary to reduce whisker growth risks. This book covers key tin whisker topics, ranging from fundamental science to practical mitigation strategies. The text begins with a review of the characteristic properties of local microstructures around whisker and hillock grains to identify why these particular grains and locations become predisposed to forming whiskers and hillocks. The book discusses the basic properties of tin-based alloy finishes and the effects of various alloying elements on whisker formation, with a focus on potential mechanisms for whisker suppression or enhancement for each element. Tin whisker risk mitigation strategies for each tier of the supply chain for high reliability electronic systems are also described.

  13. Effect of ladder diagrams on optical absorption spectra in a quasiparticle self-consistent GW framework

    Science.gov (United States)

    Cunningham, Brian; Grüning, Myrta; Azarhoosh, Pooya; Pashov, Dimitar; van Schilfgaarde, Mark

    2018-03-01

    We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B 76, 165106 (2007), 10.1103/PhysRevB.76.165106] for the electronic structure with the solution of the ladder approximation to the Bethe-Salpeter equation for the macroscopic dielectric function. The solution of the Bethe-Salpeter equation has been implemented within an all-electron framework, using a linear muffin-tin orbital basis set, with the contribution from the nonlocal self-energy to the transition dipole moments (in the optical limit) evaluated explicitly. This approach addresses those systems whose electronic structure is poorly described within the standard perturbative GW approaches with density-functional theory calculations as a starting point. The merits of this approach have been exemplified by calculating optical absorption spectra of a strongly correlated transition metal oxide, NiO, and a narrow gap semiconductor, Ge. In both cases, the calculated spectrum is in good agreement with the experiment. It is also shown that for systems whose electronic structure is well-described within the standard perturbative GW , such as Si, LiF, and h -BN , the performance of the present approach is in general comparable to the standard GW plus Bethe-Salpeter equation. It is argued that both vertex corrections to the electronic screening and the electron-phonon interaction are responsible for the observed systematic overestimation of the fundamental band gap and spectrum onset.

  14. Angular forces and melting in bcc transition metals: A case study of molybdenum

    International Nuclear Information System (INIS)

    Moriarty, J.A.

    1994-01-01

    Both the multi-ion and effective pair potentials also permit a large amount of supercooling of the liquid before the onset of freezing. With v 2 eff a bcc structure is nucleated at freezing, while with the multi-ion potentials an amorphous glasslike structure is obtained, which appears to be related to the energetically competitive A15 structure. In our second approach to melting, the multi-ion potentials have been used to obtain accurate solid and liquid free energies from quasiharmonic lattice dynamics and MD calculations of thermal energies and pressures. The resulting ion-thermal melting curve exactly overlaps the dynamically observed melting point, indicating that no superheating of the solid occurred in our MD simulations. To obtain a full melting curve, electron-thermal contributions to the solid and liquid free energies are added in terms of the density of electronic states at the Fermi level, ρ(E F ). Here the density of states for the solid has been calculated with the linear-muffin-tin-orbital method, while for the liquid tight-binding calculations have been used to justify a simple model. In the liquid ρ(E F ) is increased dramatically over the bcc solid, and the net effect of the electron-thermal contributions is to lower the calculated melting temperatures by about a factor of 2. A full melting curve to 2 Mbar has thereby been obtained and the calculated melting properties near zero pressure are in generally good agreement with experiment

  15. Spin-disorder resistivity of heavy rare-earth metals from Gd to Tm: An ab-initio study

    Science.gov (United States)

    Glasbrenner, James; Belashchenko, Kirill

    2010-03-01

    Electrical resistivity of heavy rare-earth metals has a dominant contribution from thermal spin disorder scattering. In the paramagnetic state, this spin-disorder resistivity (SDR) decreases through the Gd-Tm series. Models based on the assumption of fully localized 4f states treated as S or J multiplets predict that SDR is proportional to S^2 (S is the 4f shell spin) times a quantum correction (S+1)/S or (J+1)/J. The interpretation of this correction using experimental results is ambiguous. Since the 4f bandwidth is not small compared to the multiplet splitting, it is not clear whether the 4f shells in rare-earth metals behave as if they were fully localized and have a good quantum number S or J. To address this issue, in this work we calculate the paramagnetic SDR of the rare-earth metal Gd-Tm series using a non-collinear implementation of the tight-binding linear muffin-tin orbital method. The conductance is found using the Landauer-B"uttiker approach applied to the active region of a varying size, averaging the conductance over random spin-disorder configurations and fitting its size dependence to Ohm's law. The results are compared with experiment and discussed. The sensitivity to basis set and the treatment of the 4f electrons, as well as the role of exchange enhancement in the conduction band is considered. The issue of the quantum correction is examined in light of the new results.

  16. Magnetic, transport and electronic structure properties of U2RuGa8

    International Nuclear Information System (INIS)

    Troc, R.; Bukowski, Z.; SuIkowski, C.; Morkowski, J.A.; Szajek, A.; CheIkowska, G.

    2005-01-01

    A single crystal of uranium ternary intermetallic of U 2 RuGa 8 was grown by the Ga self-flux method. This compound crystallizes in the tetragonal unit cell of space group P4/mmm. Despite the fairly large U-U shortest distance of 4.22A, this compound shows no signs of any magnetic ordering down to 1.9K. Instead, the susceptibility measured along the a and c axes, goes through a broad maximum at T max =220K showing a distinct anisotropy. For j||a there is a weak temperature dependence of the electrical resistivity with a large value of ρ 0 =117μΩcm, while for j||c the ρ(T) curve goes through a maximum at about 130K. The magnetoresistivity measured along two crystallographic directions is small and positive. The thermopower S for the two directions studied is positive and larger along the a-axis. It goes through a broad maximum at 175K reaching a value of 45μV/K. The electronic structure has been calculated by the tight-binding linear muffin-tin orbital method (TB-LMTO) and the results were used in calculation of the valence band near the Fermi level compared next to that found in photoemission experiment. The core 4f spectra are also presented. All the above properties are discussed in view of mixed valence behaviour of uranium atom in this compound

  17. Toward a better understanding of the magnetocaloric effect: An experimental and theoretical study of MnFe{sub 4}Si{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Gourdon, Olivier, E-mail: gourdono@lanl.gov [Los Alamos Neutron Scattering Center, National Laboratory, Los Alamos, NM 87545 (United States); Gottschlich, Michael; Persson, Joerg [Jülich Center for Neutron Science JCNS-2 and Peter Grünberg Institut PGI-4, JARA-FIT, Forschungszentrum Jülich 52425 Jülich (Germany); Cruz, Clarina de la [Quantum Condensed Matter Division, Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Petricek, Vaclav [Institute of Physics ASCR v.v.i., Na Slovance 2, 182 21 Prague (Czech Republic); McGuire, Michael A. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Brückel, Thomas [Jülich Center for Neutron Science JCNS-2 and Peter Grünberg Institut PGI-4, JARA-FIT, Forschungszentrum Jülich 52425 Jülich (Germany)

    2014-08-15

    The intermetallic compound MnFe{sub 4}Si{sub 3} has been studied by high-resolution Time of Flight (TOF) neutron powder diffraction. MnFe{sub 4}Si{sub 3} crystallizes in the hexagonal space group P6{sub 3}/mcm with lattice constants of a=b=6.8043(4) Å and c=4.7254(2) Å at 310 K. Magnetic susceptibility measurements show clearly the magnetic transition from paramagnetism to ferromagnetism at about 302(2) K. Magnetic structure refinements based on neutron powder diffraction data with and without external magnetic field reveal strong evidence on the origin of the large magnetocaloric effect (MCE) in this material as a partial reordering of the spins between ∼270 K and 300 K. In addition, electronic structure calculations using the self-consistent, spin-polarized Tight Binding-Linear MuffinTin Orbital (TB-LMTO) method were also accomplished to address the “coloring problem” (Mn/Fe site preference) as well as the unique ferromagnetic behavior of this intermetallic compound. - Graphical abstract: Theoretical and experimental reinvestigation of the magnetic structure of MnFe{sub 4}Si{sub 3} for a better understanding of its large magnetocaloric effect (MCE). - Highlights: • Strong magnetic transition from paramagnetism to ferromagnetism at about 302(2) K. • MCE associated to a partial reordering of the spins between ∼270 K and 300 K. • DFT calculations show strong relation between MCE and spintronic materials.

  18. NMR studies of metallic tin confined within porous matrices

    International Nuclear Information System (INIS)

    Charnaya, E. V.; Tien, Cheng; Lee, M. K.; Kumzerov, Yu. A.

    2007-01-01

    119 Sn NMR studies were carried out for metallic tin confined within synthetic opal and porous glass. Tin was embedded into nanoporous matrices in the melted state under pressure. The Knight shift for liquid confined tin was found to decrease with decreasing pore size. Correlations between NMR line shapes, Knight shift, and pore filling were observed. The melting and freezing phase transitions of tin under confinement were studied through temperature dependences of NMR signals upon warming and cooling. Melting of tin within the opal matrix agreed well with the liquid skin model suggested for small isolated particles. The influence of the pore filling on the melting process was shown

  19. Strategies to Reduce Tin and Other Metals in Electronic Cigarette Aerosol.

    Directory of Open Access Journals (Sweden)

    Monique Williams

    Full Text Available Metals are present in electronic cigarette (EC fluid and aerosol and may present health risks to users.The objective of this study was to measure the amounts of tin, copper, zinc, silver, nickel and chromium in the aerosol from four brands of EC and to identify the sources of these metals by examining the elemental composition of the atomizer components.Four brands of popular EC were dissected and the cartomizers were examined microscopically. Elemental composition of cartomizer components was determined using integrated energy dispersive X-ray microanalysis, and the concentrations of the tin, copper, zinc silver, nickel, and chromium in the aerosol were determined for each brand using inductively coupled plasma optical emission spectroscopy.All filaments were made of nickel and chromium. Thick wires were copper coated with either tin or silver. Wires were joined to each other by tin solder, brazing, or by brass clamps. High concentrations of tin were detected in the aerosol when tin solder joints were friable. Tin coating on copper wires also contributed to tin in the aerosol.Tin concentrations in EC aerosols varied both within and between brands. Tin in aerosol was reduced by coating the thick wire with silver rather than tin, placing stable tin solder joints outside the atomizing chamber, joining wires with brass clamps or by brazing rather than soldering wires. These data demonstrate the feasibility of removing tin and other unwanted metals from EC aerosol by altering designs and using materials of suitable quality.

  20. Effect of Graphene Addition on Mechanical Properties of TiN

    International Nuclear Information System (INIS)

    Shon, In-Jin; Yoon, Jin-Kook; Hong, Kyung-Tae

    2017-01-01

    Despite of many attractive properties of TiN, the current concern about the TiN focuses on its low fracture toughness below the ductile-brittle transition temperature. To improve its mechanical properties, the approach generally utilized has been the addition of a second phase to form composites and to make nanostructured materials. In this respect, highly dense nanostructured TiN and TiN-graphene composites were obtained within two min at 1250 ℃. The grain size of TiN was reduced remarkably by the addition of graphene. The addition of graphene to TiN simultaneously improved the fracture toughness and hardness of TiN-graphene composite due to refinement of TiN and deterring crack propagation by graphene. This study demonstrates that the graphene can be an effective reinforcing agent for improved hardness and fracture toughness of TiN composites.

  1. Effect of Graphene Addition on Mechanical Properties of TiN

    Energy Technology Data Exchange (ETDEWEB)

    Shon, In-Jin [Chonbuk National University, Jeonju (Korea, Republic of); Yoon, Jin-Kook; Hong, Kyung-Tae [Korea Institute of Science and Technology, Seoul (Korea, Republic of)

    2017-03-15

    Despite of many attractive properties of TiN, the current concern about the TiN focuses on its low fracture toughness below the ductile-brittle transition temperature. To improve its mechanical properties, the approach generally utilized has been the addition of a second phase to form composites and to make nanostructured materials. In this respect, highly dense nanostructured TiN and TiN-graphene composites were obtained within two min at 1250 ℃. The grain size of TiN was reduced remarkably by the addition of graphene. The addition of graphene to TiN simultaneously improved the fracture toughness and hardness of TiN-graphene composite due to refinement of TiN and deterring crack propagation by graphene. This study demonstrates that the graphene can be an effective reinforcing agent for improved hardness and fracture toughness of TiN composites.

  2. Electronic structure of alloys

    International Nuclear Information System (INIS)

    Ehrenreich, H.; Schwartz, L.M.

    1976-01-01

    The description of electronic properties of binary substitutional alloys within the single particle approximation is reviewed. Emphasis is placed on a didactic exposition of the equilibrium properties of the transport and magnetic properties of such alloys. Topics covered include: multiple scattering theory; the single band alloy; formal extensions of the theory; the alloy potential; realistic model state densities; the s-d model; and the muffin tin model. 43 figures, 3 tables, 151 references

  3. Microwave plasma CVD of NANO structured tin/carbon composites

    Science.gov (United States)

    Marcinek, Marek [Warszawa, PL; Kostecki, Robert [Lafayette, CA

    2012-07-17

    A method for forming a graphitic tin-carbon composite at low temperatures is described. The method involves using microwave radiation to produce a neutral gas plasma in a reactor cell. At least one organo tin precursor material in the reactor cell forms a tin-carbon film on a supporting substrate disposed in the cell under influence of the plasma. The three dimensional carbon matrix material with embedded tin nanoparticles can be used as an electrode in lithium-ion batteries.

  4. Growth Kinetics and Oxidation Mechanism of ALD TiN Thin Films Monitored by In Situ Spectroscopic Ellipsometry

    NARCIS (Netherlands)

    Van Hao, B.; Groenland, A.W.; Aarnink, Antonius A.I.; Wolters, Robertus A.M.; Schmitz, Jurriaan; Kovalgin, Alexeij Y.

    2011-01-01

    Spectroscopic ellipsometry (SE) was employed to investigate the growth of atomic layer deposited (ALD) TiN thin films from titanium chloride (TiCl4) and ammonia (NH3) and the followed oxidation in dry oxygen. Two regimes were found in the growth including a transient stage prior to a linear regime.

  5. Temperature measurement of tin under shock compression

    International Nuclear Information System (INIS)

    Hereil, Pierre-Louis; Mabire, Catherine

    2002-01-01

    The results of pyrometric measurements performed at the interface of a tin target with a LiF window material are presented for stresses ranging from 38 to 55 GPa. The purpose of the study is to analyze the part of the interface in the temperature measurement by a multi-channel pyrometric device. The results show that the glue used at target/window interface remains transparent under shock. The values of temperature measured at the tin/LiF interface are consistent with the behavior of tin under shock

  6. Strategies to Reduce Tin and Other Metals in Electronic Cigarette Aerosol

    Science.gov (United States)

    Williams, Monique; To, An; Bozhilov, Krassimir; Talbot, Prue

    2015-01-01

    Background Metals are present in electronic cigarette (EC) fluid and aerosol and may present health risks to users. Objective The objective of this study was to measure the amounts of tin, copper, zinc, silver, nickel and chromium in the aerosol from four brands of EC and to identify the sources of these metals by examining the elemental composition of the atomizer components. Methods Four brands of popular EC were dissected and the cartomizers were examined microscopically. Elemental composition of cartomizer components was determined using integrated energy dispersive X-ray microanalysis, and the concentrations of the tin, copper, zinc silver, nickel, and chromium in the aerosol were determined for each brand using inductively coupled plasma optical emission spectroscopy. Results All filaments were made of nickel and chromium. Thick wires were copper coated with either tin or silver. Wires were joined to each other by tin solder, brazing, or by brass clamps. High concentrations of tin were detected in the aerosol when tin solder joints were friable. Tin coating on copper wires also contributed to tin in the aerosol. Conclusions Tin concentrations in EC aerosols varied both within and between brands. Tin in aerosol was reduced by coating the thick wire with silver rather than tin, placing stable tin solder joints outside the atomizing chamber, joining wires with brass clamps or by brazing rather than soldering wires. These data demonstrate the feasibility of removing tin and other unwanted metals from EC aerosol by altering designs and using materials of suitable quality. PMID:26406602

  7. Diffuse scattering in metallic tin polymorphs

    International Nuclear Information System (INIS)

    Wehinger, Björn; Bosak, Alexeï; Piccolboni, Giuseppe; Krisch, Michael; Refson, Keith; Chernyshov, Dmitry; Ivanov, Alexandre; Rumiantsev, Alexander

    2014-01-01

    The lattice dynamics of the metallic tin β and γ polymorphs has been studied by a combination of diffuse scattering, inelastic x-ray scattering and density functional perturbation theory. The non-symmorphic space group of the β -tin structure results in unusual asymmetry of thermal diffuse scattering. Strong resemblance of the diffuse scattering intensity distribution in β and γ-tin were observed, reflecting the structural relationship between the two phases and revealing the qualitative similarity of the underlying electronic potential. The strong influence of the electron subsystem on inter-ionic interactions creates anomalies in the phonon dispersion relations. All observed features are described in great detail by the density functional perturbation theory for both β - and γ-tin at arbitrary momentum transfers. The combined approach delivers thus a complete picture of the lattice dynamics in harmonic description. (paper)

  8. Spin-orbit beams for optical chirality measurement

    Science.gov (United States)

    Samlan, C. T.; Suna, Rashmi Ranjan; Naik, Dinesh N.; Viswanathan, Nirmal K.

    2018-01-01

    Accurate measurement of chirality is essential for the advancement of natural and pharmaceutical sciences. We report here a method to measure chirality using non-separable states of light with geometric phase-gradient in the circular polarization basis, which we refer to as spin-orbit beams. A modified polarization Sagnac interferometer is used to generate spin-orbit beams wherein the spin and orbital angular momentum of the input Gaussian beam are coupled. The out-of-phase interference between counter-propagating Gaussian beams with orthogonal spin states and lateral-shear or/and linear-phase difference between them results in spin-orbit beams with linear and azimuthal phase gradient. The spin-orbit beams interact efficiently with the chiral medium, inducing a measurable change in the center-of-mass of the beam, using the polarization rotation angle and hence the chirality of the medium are accurately calculated. Tunable dynamic range of measurement and flexibility to introduce large values of orbital angular momentum for the spin-orbit beam, to improve the measurement sensitivity, highlight the techniques' versatility.

  9. Telomere dysfunction and cell survival: roles for distinctTIN2-containing complexes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sahn-Ho; Davalos, Albert R.; Heo, Seok-Jin; Rodier, Francis; Beausejour, Christian; Kaminker, Patrick; Campisi, Judith

    2006-11-07

    Telomeres are maintained by three DNA binding proteins, TRF1, TRF2 and POT1, and several associated factors. One factor, TIN2, binds TRF1 and TRF2 directly and POT1 indirectly. These and two other proteins form a soluble complex that may be the core telomere-maintenance complex. It is not clear whether subcomplexes exist or function in vivo. Here, we provide evidence for two TIN2 subcomplexes with distinct functions in human cells. TIN2 ablation by RNA interference caused telomere uncapping and p53-independent cell death in all cells tested. However, we isolated two TIN2 complexes from cell lysates, each selectively sensitive to a TIN2 mutant (TIN2-13, TIN2-15C). In cells with wild-type p53 function, TIN2-15C was more potent than TIN2-13 in causing telomere uncapping and eventual growth arrest. In cells lacking p53 function, TIN215C more than TIN2-13 caused genomic instability and cell death. Thus, TIN2 subcomplexes likely have distinct functions in telomere maintenance, and may provide selective targets for eliminating cells with mutant p53.

  10. Complete titanium substitution by boron in a tetragonal prism: exploring the complex boride series Ti(3-x)Ru(5-y)Ir(y)B(2+x) (0 ≤ x ≤ 1 and 1 theory.

    Science.gov (United States)

    Fokwa, Boniface P T; Hermus, Martin

    2011-04-18

    Polycrystalline samples and single crystals of four members of the new complex boride series Ti(3-x)Ru(5-y)Ir(y)B(2+x) (0 ≤ x ≤ 1 and 1 X-ray diffraction as well as energy- and wavelength-dispersive X-ray spectroscopy analyses. They crystallize with the tetragonal Ti(3)Co(5)B(2) structure type in space group P4/mbm (No. 127). Tetragonal prisms of Ru/Ir atoms are filled with titanium in the boron-poorest phase (Ti(3)Ru(2.9)Ir(2.1)B(2)). Gradual substitution of titanium by boron then results in the successive filling of this site by a Ti/B mixture en route to the complete boron occupation, leading to the boron-richest phase (Ti(2)Ru(2.8)Ir(2.2)B(3)). Furthermore, both ruthenium and iridium share two sites in these structures, but a clear Ru/Ir site preference is found. First-principles density functional theory calculations (Vienna ab initio simulation package) on appropriate structural models (using a supercell approach) have provided more evidence on the stability of the boron-richest and -poorest phases, and the calculated lattice parameters corroborate very well with the experimentally found ones. Linear muffin-tin orbital atomic sphere approximation calculations further supported these findings through crystal orbital Hamilton population bonding analyses, which also show that the Ru/Ir-B and Ru/Ir-Ti heteroatomic interactions are mainly responsible for the structural stability of these compounds. Furthermore, some stable and unstable phases of this complex series could be predicted using the rigid-band model. According to the density of states analyses, all phases should be metallic conductors, as was expected from these metal-rich borides.

  11. Telomere dysfunction and cell survival: Roles for distinct TIN2-containing complexes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sahn-ho; Davalos, Albert R.; Heo, Seok-Jin; Rodier, Francis; Zou, Ying; Beausejour, Christian; Kaminker, Patrick; Yannone, Steven M.; Campisi, Judith

    2007-10-02

    Telomeres are maintained by three DNA binding proteins (TRF1, TRF2 and POT1), and several associated factors. One factor, TIN2, binds TRF1 and TRF2 directly and POT1 indirectly. Along with two other proteins, TPP1 and hRap1, these form a soluble complex that may be the core telomere maintenance complex. It is not clear whether sub-complexes also exist in vivo. We provide evidence for two TIN2 sub-complexes with distinct functions in human cells. We isolated these two TIN2 sub-complexes from nuclear lysates of unperturbed cells and cells expressing TIN2 mutants TIN2-13, TIN2-15C, which cannot bind TRF2 or TRF1, respectively. In cells with wild-type p53 function, TIN2-15C was more potent than TIN2-13 in causing telomere uncapping and eventual growth arrest. In cells lacking p53 function, TIN2-15C was more potent than TIN2-13 in causing telomere dysfunction and cell death. Our findings suggest that distinct TIN2 complexes exist, and that TIN2-15C-sensitive subcomplexes are particularly important for cell survival in the absence of functional p53.

  12. Low-Thrust Orbital Transfers in the Two-Body Problem

    Directory of Open Access Journals (Sweden)

    A. A. Sukhanov

    2012-01-01

    Full Text Available Low-thrust transfers between given orbits within the two-body problem are considered; the thrust is assumed power limited. A simple method for obtaining the transfer trajectories based on the linearization of the motion near reference orbits is suggested. Required calculation accuracy can be reached by means of use of a proper number of the reference orbits. The method may be used in the case of a large number of the orbits around the attracting center; no averaging is necessary in this case. The suggested method also is applicable to the cases of partly given final orbit and if there are constraints on the thrust direction. The method gives an optimal solution to the linearized problem which is not optimal for the original nonlinear problem; the difference between the optimal solutions to the original and linearized problems is estimated using a numerical example. Also examples illustrating the method capacities are given.

  13. Preliminary study of tin slag concrete mixture

    Science.gov (United States)

    Hashim, Mohd Jamil; Mansor, Ishak; Pauzi Ismail, Mohamad; Sani, Suhairy; Azmi, Azhar; Sayuti, Shaharudin; Zaidi Ibrahim, Mohd; Adli Anuar, Abul; Rahim, Abdul Adha Abdul

    2018-01-01

    The study focuses on practices to facilitate tin smelting industry to reduce radioactive waste product (Tin Slag) by diluting its radioactivity to a safe level and turning it to a safer infrastructural building product. In the process the concrete mix which include Portland cement, sand, tin slag, water and plasticizer are used to produce interlocking brick pavements, piles and other infrastructural products. The mixing method follows DOE (UK) standard method of mixing targeted at in selected compressive strength suitable for its function and durability. A batching machine is used in the mixing and six test cubes are produced for the test. The testing equipment used are a compressional machine, ultrasonic measurement and a Geiger Muller counter to evaluate of the concrete mix to find the lowest emission of radiation surface dose without compromising the strength of concrete mix. The result obtained indicated the radioactivity of tin slag in the mixing process has reduced to background level that is 0.5μSv/h while the strength and workability of the concrete has not been severely affected. In conclusion, the concrete mix with tin slag has shown the potential it can be turned into a safe beneficial infrastructural product with good strength.

  14. Self-consistent field variational cellular method as applied to the band structure calculation of sodium

    International Nuclear Information System (INIS)

    Lino, A.T.; Takahashi, E.K.; Leite, J.R.; Ferraz, A.C.

    1988-01-01

    The band structure of metallic sodium is calculated, using for the first time the self-consistent field variational cellular method. In order to implement the self-consistency in the variational cellular theory, the crystal electronic charge density was calculated within the muffin-tin approximation. The comparison between our results and those derived from other calculations leads to the conclusion that the proposed self-consistent version of the variational cellular method is fast and accurate. (author) [pt

  15. Generalized stacking fault energies of alloys.

    Science.gov (United States)

    Li, Wei; Lu, Song; Hu, Qing-Miao; Kwon, Se Kyun; Johansson, Börje; Vitos, Levente

    2014-07-02

    The generalized stacking fault energy (γ surface) provides fundamental physics for understanding the plastic deformation mechanisms. Using the ab initio exact muffin-tin orbitals method in combination with the coherent potential approximation, we calculate the γ surface for the disordered Cu-Al, Cu-Zn, Cu-Ga, Cu-Ni, Pd-Ag and Pd-Au alloys. Studying the effect of segregation of the solute to the stacking fault planes shows that only the local chemical composition affects the γ surface. The calculated alloying trends are discussed using the electronic band structure of the base and distorted alloys.Based on our γ surface results, we demonstrate that the previous revealed 'universal scaling law' between the intrinsic energy barriers (IEBs) is well obeyed in random solid solutions. This greatly simplifies the calculations of the twinning measure parameters or the critical twinning stress. Adopting two twinnability measure parameters derived from the IEBs, we find that in binary Cu alloys, Al, Zn and Ga increase the twinnability, while Ni decreases it. Aluminum and gallium yield similar effects on the twinnability.

  16. A hybrid numerical method for orbit correction

    International Nuclear Information System (INIS)

    White, G.; Himel, T.; Shoaee, H.

    1997-09-01

    The authors describe a simple hybrid numerical method for beam orbit correction in particle accelerators. The method overcomes both degeneracy in the linear system being solved and respects boundaries on the solution. It uses the Singular Value Decomposition (SVD) to find and remove the null-space in the system, followed by a bounded Linear Least Squares analysis of the remaining recast problem. It was developed for correcting orbit and dispersion in the B-factory rings

  17. Microstructure and growth mechanism of tin whiskers on RESn3 compounds

    International Nuclear Information System (INIS)

    Li Caifu; Liu Zhiquan

    2013-01-01

    Graphical abstract: Large amount of intact tin whiskers were firstly prepared without post handling, and their microstructures were investigated systematically with TEM. A growth model was proposed to explain the observed growth characteristics from Sn–RE alloys. - Abstract: An exclusive method was developed to prepare intact tin whiskers as transmission electron microscope specimens, and with this technique in situ observation of tin whisker growth from RESn 3 (RE = Nd, La, Ce) film specimen was first achieved. Electron irradiation was discovered to have an effect on the growth of a tin whisker through its root. Large quantities of tin whiskers with diameters from 20 nm to 10 μm and lengths ranging from 50 nm to 500 μm were formed at a growth rate of 0.1–1.8 nm s −1 on the surface of RESn 3 compounds. Most (>85%) of these tin whiskers have preferred growth directions of 〈1 0 0〉, 〈0 0 1〉, 〈1 0 1〉 and 〈1 0 3〉, as determined by statistics. This kind of tin whisker is single-crystal β-Sn even if it has growth striations, steps and kinks, and no dislocations or twin or grain boundaries were observed within the whisker body. RESn 3 compounds undergo selective oxidation during whisker growth, and the oxidation provides continuous tin atoms for tin whisker growth until they are exhausted. The driving force for whisker growth is the compressive stress resulting from the restriction of the massive volume expansion (38–43%) during the oxidation by the surface RE(OH) 3 layer. Tin atoms diffuse and flow to feed the continuous growth of tin whiskers under a compressive stress gradient formed from the extrusion of tin atoms/clusters at weak points on the surface RE(OH) 3 layers. A growth model was proposed to discuss the characteristics and growth mechanism of tin whiskers from RESn 3 compounds.

  18. NASA GSFC Tin Whisker Homepage http://nepp.nasa.gov/whisker

    Science.gov (United States)

    Shaw, Harry

    2000-01-01

    The NASA GSFC Tin Whisker Homepage provides general information and GSFC Code 562 experimentation results regarding the well known phenomenon of tin whisker formation from pure tin plated substrates. The objective of this www site is to provide a central repository for information pertaining to this phenomenon and to provide status of the GSFC experiments to understand the behavior of tin whiskers in space environments. The Tin Whisker www site is produced by Code 562. This www site does not provide information pertaining to patented or proprietary information. All of the information contained in this www site is at the level of that produced by industry and university researchers and is published at international conferences.

  19. Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation

    International Nuclear Information System (INIS)

    Schurkus, Henry F.; Ochsenfeld, Christian

    2016-01-01

    An atomic-orbital (AO) reformulation of the random-phase approximation (RPA) correlation energy is presented allowing to reduce the steep computational scaling to linear, so that large systems can be studied on simple desktop computers with fully numerically controlled accuracy. Our AO-RPA formulation introduces a contracted double-Laplace transform and employs the overlap-metric resolution-of-the-identity. First timings of our pilot code illustrate the reduced scaling with systems comprising up to 1262 atoms and 10 090 basis functions. 

  20. Atomic dynamics of tin nanoparticles embedded into porous glass

    Energy Technology Data Exchange (ETDEWEB)

    Parshin, P. P.; Zemlyanov, M. G., E-mail: zeml@isssph.kiae.ru; Panova, G. Kh.; Shikov, A. A. [Russian Research Centre Kurchatov Institute (Russian Federation); Kumzerov, Yu. A.; Naberezhnov, A. A. [Russian Academy of Sciences, Ioffe Physicotechnical Institute (Russian Federation); Sergueev, I.; Crichton, W. [European Synchrotron Radiation Facility (France); Chumakov, A. I. [Russian Research Centre Kurchatov Institute (Russian Federation); Rueffer, R. [European Synchrotron Radiation Facility (France)

    2012-03-15

    The method of resonant nuclear inelastic absorption of synchrotron radiation has been used to study the phonon spectrum for tin nanoparticles (with a natural isotope mixture) embedded into a porous glassy (silica) matrix with an average pore diameter of 7 nm in comparison to the analogous spectrum of bulk tin enriched with {sup 119}Sn isotope. Differences between the spectra have been observed, which are related to both the dimensional effects and specific structural features of the porous glass-tin nanocomposite. Peculiarities in the dynamics of tin atoms embedded into nanopores of glass are interpreted in terms of a qualitative model of the nanocomposite structure.

  1. Atomic dynamics of tin nanoparticles embedded into porous glass

    International Nuclear Information System (INIS)

    Parshin, P. P.; Zemlyanov, M. G.; Panova, G. Kh.; Shikov, A. A.; Kumzerov, Yu. A.; Naberezhnov, A. A.; Sergueev, I.; Crichton, W.; Chumakov, A. I.; Rüffer, R.

    2012-01-01

    The method of resonant nuclear inelastic absorption of synchrotron radiation has been used to study the phonon spectrum for tin nanoparticles (with a natural isotope mixture) embedded into a porous glassy (silica) matrix with an average pore diameter of 7 nm in comparison to the analogous spectrum of bulk tin enriched with 119 Sn isotope. Differences between the spectra have been observed, which are related to both the dimensional effects and specific structural features of the porous glass-tin nanocomposite. Peculiarities in the dynamics of tin atoms embedded into nanopores of glass are interpreted in terms of a qualitative model of the nanocomposite structure.

  2. A novel approach for epipolar resampling of cross-track linear pushbroom imagery using orbital parameters model

    Science.gov (United States)

    Jannati, Mojtaba; Valadan Zoej, Mohammad Javad; Mokhtarzade, Mehdi

    2018-03-01

    This paper presents a novel approach to epipolar resampling of cross-track linear pushbroom imagery using orbital parameters model (OPM). The backbone of the proposed method relies on modification of attitude parameters of linear array stereo imagery in such a way to parallelize the approximate conjugate epipolar lines (ACELs) with the instantaneous base line (IBL) of the conjugate image points (CIPs). Afterward, a complementary rotation is applied in order to parallelize all the ACELs throughout the stereo imagery. The new estimated attitude parameters are evaluated based on the direction of the IBL and the ACELs. Due to the spatial and temporal variability of the IBL (respectively changes in column and row numbers of the CIPs) and nonparallel nature of the epipolar lines in the stereo linear images, some polynomials in the both column and row numbers of the CIPs are used to model new attitude parameters. As the instantaneous position of sensors remains fix, the digital elevation model (DEM) of the area of interest is not required in the resampling process. According to the experimental results obtained from two pairs of SPOT and RapidEye stereo imagery with a high elevation relief, the average absolute values of remained vertical parallaxes of CIPs in the normalized images were obtained 0.19 and 0.28 pixels respectively, which confirm the high accuracy and applicability of the proposed method.

  3. Organic derivatives of tin (II/IV): Investigation of their structure

    Energy Technology Data Exchange (ETDEWEB)

    Szirtes, L., E-mail: szirtes@iki.kfki.h [Institute of Isotopes of the Hungarian Academy of Sciences, Budapest H-1525, P.O. Box 77 (Hungary); Megyeri, J., E-mail: megyeri@iki.kfki.h [Institute of Isotopes of the Hungarian Academy of Sciences, Budapest H-1525, P.O. Box 77 (Hungary); Kuzmann, E. [Laboratory of Nuclear Chemistry, CRC of the Hungarian Academy of Science at Eoetvoes University, H-1518 Budapest, P.O. Box 32 (Hungary); Beck, A. [Institute of Isotopes of the Hungarian Academy of Sciences, Budapest H-1525, P.O. Box 77 (Hungary)

    2011-07-15

    The structures of tin(II)-oxalate, tin(IV)Na-EDTA and tin(IV)Na{sub 8}-inositol hexaphosphate were investigated using XRD analysis. Samples were identified using the Moessbauer study, thermal analysis and FTIR spectrometry. The Moessbauer study determined two different oxidation states of tin atoms, and consequently two different tin surroundings in the end products. The tin oxalate was found to be orthorhombic with space group Pnma, a=9.2066(3) A, b=9.7590(1) A, c=13.1848(5) A, V=1184.62 A{sup 3} and Z=8. SnNa-EDTA was found to be monoclinic with space group P2{sub 1}/c{sub 1}, a=10.7544(3) A, b=10.1455(3) A, c=16.5130(6) A, {beta}=98.59(2){sup o}, V=1781.50(4) A{sup 3} and Z=4. Sn(C{sub 6}H{sub 6}Na{sub 8}O{sub 24}P{sub 6}) was found to be amorphous.

  4. Proton transport properties of tin phosphate, chromotropic acid ...

    Indian Academy of Sciences (India)

    The functionalized materials of tin (IV) phosphate (SnP) like chromotropic acid anchored tin ... elemental analysis (ICP–AES), thermal analysis, X-ray analysis and FTIR spectroscopy. .... nal level below 1 V, interfaced to a minicomputer for data.

  5. Studies on Nanocrystalline TiN Coatings Prepared by Reactive Plasma Spraying

    Directory of Open Access Journals (Sweden)

    Dong Yanchun

    2008-01-01

    Full Text Available Titanium nitride (TiN coatings with nanostructure were prepared on the surface of 45 steel (Fe-0.45%C via reactive plasma spraying (denoted as RPS Ti powders using spraying gun with self-made reactive chamber. The microstructural characterization, phases constitute, grain size, microhardness, and wear resistance of TiN coatings were systematically investigated. The grain size was obtained through calculation using the Scherrer formula and observed by TEM. The results of X-ray diffraction and electron diffraction indicated that the TiN is main phase of the TiN coating. The forming mechanism of the nano-TiN was characterized by analyzing the SEM morphologies of surface of TiN coating and TiN drops sprayed on the surface of glass, and observing the temperature and velocity of plasma jet using Spray Watch. The tribological properties of the coating under nonlubricated condition were tested and compared with those of the AISI M2 high-speed steel and Al2O3 coating. The results have shown that the RPS TiN coating presents better wear resistance than the M2 high-speed steel and Al2O3 coating under nonlubricated condition. The microhardness of the cross-section and longitudinal section of the TiN coating was tested. The highest hardness of the cross-section of TiN coating is 1735.43HV100 g.

  6. Orbit-attitude coupled motion around small bodies: Sun-synchronous orbits with Sun-tracking attitude motion

    Science.gov (United States)

    Kikuchi, Shota; Howell, Kathleen C.; Tsuda, Yuichi; Kawaguchi, Jun'ichiro

    2017-11-01

    The motion of a spacecraft in proximity to a small body is significantly perturbed due to its irregular gravity field and solar radiation pressure. In such a strongly perturbed environment, the coupling effect of the orbital and attitude motions exerts a large influence that cannot be neglected. However, natural orbit-attitude coupled dynamics around small bodies that are stationary in both orbital and attitude motions have yet to be observed. The present study therefore investigates natural coupled motion that involves both a Sun-synchronous orbit and Sun-tracking attitude motion. This orbit-attitude coupled motion enables a spacecraft to maintain its orbital geometry and attitude state with respect to the Sun without requiring active control. Therefore, the proposed method can reduce the use of an orbit and attitude control system. This paper first presents analytical conditions to achieve Sun-synchronous orbits and Sun-tracking attitude motion. These analytical solutions are then numerically propagated based on non-linear coupled orbit-attitude equations of motion. Consequently, the possibility of implementing Sun-synchronous orbits with Sun-tracking attitude motion is demonstrated.

  7. Image processing of worn and unworn protective coatings of TiAlN and TiN on 100Cr6 steel

    DEFF Research Database (Denmark)

    Rasmussen, Inge Lise; Guibert, M.; Martin, J.M.

    by a reciprocating wear process in a linear tribo-meter with up to 105 repetitive cycles, leaving the embedded TiN signal layers uncovered at the bottom the wear scars. The worn surfaces were characterized by subsequent image processing. A color detection, by a simple optical imaging system, of the wear scar......-coating to the TiN signal layer. The two different methods, image processing and laser reflectance measurements, lead thus to identical results, showing that image processing by means of color detection or monitoring and laser reflectance are potential techniques for intelligent determination of residual thickness......A model system, consisting of a titanium aluminum nitride (TiAlN) coating on top of an ‘optical’ titanium nitride (TiN) signal layer deposited on 100Cr6 steel substrates, was exposed to an extremely abrasive wear process. The TiAlN top-coatings, of thicknesses of up to 3 µm, were removed...

  8. Influence of interface on structure and magnetic properties of Fe₅₀B₅₀ nanoglass

    Energy Technology Data Exchange (ETDEWEB)

    Stoesser, A.; Kilmametov, A. [Institute of Nanotechnology, Karlsruhe Institute of Technology, Karlsruhe (Germany); Ghafari, M., E-mail: mohammad.ghafari@kit.edu, E-mail: skamali@ucdavis.edu; Gleiter, H. [Institute of Nanotechnology, Karlsruhe Institute of Technology, Karlsruhe (Germany); Herbert Gleiter Institute of Nanoscience, Nanjing University of Science and Technology, Nanjing 210094 (China); Sakurai, Y.; Itou, M.; Kohara, S. [Japan Synchrotron Radiation Research Institute, SPring-8, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Hahn, H. [Institute of Nanotechnology, Karlsruhe Institute of Technology, Karlsruhe (Germany); Herbert Gleiter Institute of Nanoscience, Nanjing University of Science and Technology, Nanjing 210094 (China); Joint Research Laboratory Nanomaterials, TU Darmstadt, Darmstadt (Germany); Kamali, S., E-mail: mohammad.ghafari@kit.edu, E-mail: skamali@ucdavis.edu [Department of Chemistry, University of California Davis, Davis, California 95616 (United States)

    2014-10-07

    In contrast to rapidly quenched metallic glasses, nanoglasses consist of two components, namely amorphous nanograins and interfacial regions with distinctively different properties. Various physical methods have been employed to obtain information on the atomistic and magnetic properties of such materials. For the case of a Fe₅₀B₅₀ nanoglass, using high-energy X-ray diffraction, it was found that the short-range order of the nanograins is similar to that of a crystalline FeB alloy. Magnetic Compton scattering shows that the total magnetic moment is the sum of the magnetic moment of the nanograins and the weak magnetic moment of the interfacial regions (μ{sub Interface}=+0.08 μB). The measured moment of boron agrees (μ{sub Boron}= -0.08 μB) with linear Muffin-Tin calculations. From the results of Mössbauer and magnetic Compton scattering, it can be concluded that the boron atoms segregate in the interfacial regions, resulting in a reduced boron concentration in the nanograins.

  9. Theory of orbital magnetoelectric response

    International Nuclear Information System (INIS)

    Malashevich, Andrei; Souza, Ivo; Coh, Sinisa; Vanderbilt, David

    2010-01-01

    We extend the recently developed theory of bulk orbital magnetization to finite electric fields, and use it to calculate the orbital magnetoelectric (ME) response of periodic insulators. Working in the independent-particle framework, we find that the finite-field orbital magnetization can be written as a sum of three gauge-invariant contributions, one of which has no counterpart at zero field. The extra contribution is collinear with and explicitly dependent on the electric field. The expression for the orbital magnetization is suitable for first-principles implementations, allowing one to calculate the ME response coefficients by numerical differentiation. Alternatively, perturbation-theory techniques may be used, and for that purpose we derive an expression directly for the linear ME tensor by taking the first field-derivative analytically. Two types of terms are obtained. One, the 'Chern-Simons' term, depends only on the unperturbed occupied orbitals and is purely isotropic. The other, 'Kubo' terms, involve the first-order change in the orbitals and give isotropic as well as anisotropic contributions to the response. In ordinary ME insulators all terms are generally present, while in strong Z 2 topological insulators only the Chern-Simons term is allowed, and is quantized. In order to validate the theory, we have calculated under periodic boundary conditions the linear ME susceptibility for a 3D tight-binding model of an ordinary ME insulator, using both the finite-field and perturbation-theory expressions. The results are in excellent agreement with calculations on bounded samples.

  10. Crystal field in rare-earth metals and intermetallic compounds

    International Nuclear Information System (INIS)

    Ray, D.K.

    1978-01-01

    Reasons for the success of the crystal-field model for the rare-earth metals and intermetallic compounds are discussed. A review of some of the available experimental results is made with emphasis on cubic intermetallic compounds. Various sources of the origin of the crystal field in these metals are discussed in the background of the recent APW picture of the conduction electrons. The importance of the non-spherical part of the muffin-tin potential on the single-ion anisotropy is stressed. (author)

  11. Selective Recovery of Mushistonite from Gravity Tailings of Copper–Tin Minerals in Tajikistan

    OpenAIRE

    Lei Sun; Yuehua Hu; Wei Sun; Zhiyong Gao; Mengjie Tian

    2017-01-01

    Tajikistan has abundant copper–tin resources. In this study, mineralogical analysis of copper–tin ores from the Mushiston deposit of Tajikistan indicates that tin mainly occurred in mushistonite, cassiterite, and stannite, while copper mainly occurred in mushistonite, malachite, azurite, and stannite. The total grades of tin (Sn) and copper (Cu) were 0.65% and 0.66%, respectively, and the dissemination size of copper–tin minerals ranged from 4 μm to over 200 μm. Coarse particles of copper–tin...

  12. Dynamics of High-Order Spin-Orbit Couplings about Linear Momenta in Compact Binary Systems*

    International Nuclear Information System (INIS)

    Huang Li; Wu Xin; Huang Guo-Qing; Mei Li-Jie

    2017-01-01

    This paper relates to the post-Newtonian Hamiltonian dynamics of spinning compact binaries, consisting of the Newtonian Kepler problem and the leading, next-to-leading and next-to-next-to-leading order spin-orbit couplings as linear functions of spins and momenta. When this Hamiltonian form is transformed to a Lagrangian form, besides the terms corresponding to the same order terms in the Hamiltonian, several additional terms, third post-Newtonian (3PN), 4PN, 5PN, 6PN and 7PN order spin-spin coupling terms, yield in the Lagrangian. That means that the Hamiltonian is nonequivalent to the Lagrangian at the same PN order but is exactly equivalent to the full Lagrangian without any truncations. The full Lagrangian without the spin-spin couplings truncated is integrable and regular. Whereas it is non-integrable and becomes possibly chaotic when any one of the spin-spin terms is dropped. These results are also supported numerically. (paper)

  13. Ductility Enhancement of Molybdenum Phase by Nano-sizedd Oxide Dispersions

    Energy Technology Data Exchange (ETDEWEB)

    Bruce Kang

    2008-07-31

    The present research is focused on ductility enhancement of molybdenum (Mo) alloys by adding nano-sized oxide particles to the alloy system. The research approach includes: (1) determination of microscopic mechanisms responsible for the macroscopic ductility enhancement effects through atomistic modeling of the metal-ceramic interface; (2) subsequent computer simulation-aided optimization of composition and nanoparticle size of the dispersion for improved performance; (3) synthesis and characterization of nanoparticle dispersion following the guidance from atomistic computational modeling analyses (e.g., by processing a small sample of Mo alloy for evaluation); and (4) experimental testing of the mechanical properties to determine optimal ductility enhancement.Through atomistic modeling and electronic structure analysis using full-potential linearized muffin-tin orbital (FP-LMTO) techniques, research to date has been performed on a number of selected chromium (Cr) systems containing nitrogen (N) and/or magnesium oxide (MgO) impurities. The emphasis has been on determining the properties of the valence electrons and the characteristics of the chemical bonds they formed. It was found that the brittle/ductile behavior of this transitional metal system is controlled by the relative population of valence charges: bonds formed by s valence electrons yield metallic, ductile behavior, whereas bonds formed by d valence electrons lead to covalent, brittle behavior. The presence of valence bands from impurities also affects the metal bonding, thereby explaining the detrimental and beneficial effects induced by the inclusion of N impurities and MgO dispersions. These understandings are useful for optimizing ductility enhancement effects on the dispersion materials.

  14. Correlated band magnetism of cerium and actinide materials

    International Nuclear Information System (INIS)

    Cooper, B.R.; Lin, Y.; Sheng, Q.G.

    1997-01-01

    We discuss (1) the effects to be expected by the introduction into the electronic structure of locally-based two-electron correlations between the f electrons and bonding electrons of p and d atomic origin centered off-site as well as f-f correlations, (2) the expected observable consequences of these two-electron correlations, and (3) how to perform electronic structure calculations including the two-electron correlations. We first review certain general features of the physics associated with capturing the dual energetically localized-delocalized nature of the f electron spectral density; and review model calculations involving a single on-site f electron and a single ligand p/d electron of off-site parentage which lead to the possibility of a narrow singlet and triplet (magnetic) band picture explaining heavy fermion phenomenology. We then show that the same singlet/magnetic state picture arises when we include two-electron f-l and f-f correlations for actinides, which have atomic f n configurations with n>1; and we describe a practical electronic structure scheme for real materials based on a sequence in which a conventional one-electron linearized combination of muffin-tin orbitals (LMTO) LDA+U calculation is followed by a calculation for the lattice with a helium like two-electron Hamiltonian at the f atom sites, i.e., two-electron atoms where initially for the core two electrons worth of charge are removed from the LMTO f-site atom. This procedure will reconstruct the LMTO bands to include two-electron texturing. copyright 1997 American Institute of Physics

  15. First principle investigation of structural, electronic and magnetic properties of cubic Cd{sub 0.9375}TM{sub 0.0625}S (TM=Ni, Co and Fe)

    Energy Technology Data Exchange (ETDEWEB)

    Yahi, Hakima, E-mail: yahihaki@yahoo.fr; Meddour, Athmane, E-mail: a_meddour@yahoo.fr

    2017-06-15

    In this study, we investigated the structural, electronic and magnetic properties of Cd{sub 0.9375}TM{sub 0.0625}S (TM=Ni, Co and Fe) compounds in zinc blende (B3) ferromagnetic phase using all-electron full-potential linear muffin tin orbital (FP-LMTO) calculations within the frame work of the density functional theory and the generalized gradient approximation. The analysis of electronic structures shows that Cd{sub 0.9375}Ni{sub 0.0625}S, Cd{sub 0.9375}Co{sub 0.0625}S and Cd{sub 0.9375}Fe{sub 0.0625}S compounds are half-metallic ferromagnets with 100% spin polarization at the Fermi level. This half-metallic behavior is confirmed by the total calculated magnetic moment per Ni, Co and Fe substituted transition metal (TM) atom, which is found to be 2 µ{sub B}, 3 µ{sub B} and 4 µ{sub B} for Cd{sub 0.9375}TM{sub 0.0625}S (TM=Ni, Co and Fe) compounds, respectively. Furthermore, we found that the TM-3d states are responsible for generating spin-polarization and magnetic moment in these compounds and we establish that the p-d hybridization reduces the local magnetic moment of TM atoms from its free space charge value and produces small local magnetic moments on nonmagnetic Cd and S host sites. Also, we predicted exchange splitting energy Δ{sub x}(pd) and exchange constants N{sub 0}α and N{sub 0}β. The calculated values validate the ferromagnetic nature of these compounds.

  16. Ab-initio electronic and magnetic properties of Fe-Al alloys

    Directory of Open Access Journals (Sweden)

    Apiñaniz, E.

    2000-06-01

    Full Text Available This work presents ab-initio self-consistent calculations performed with the TB-LMTO code to study the different phases of the Fe-Al phase diagram, corresponding to the ordered structures B2, DO3 and B32 and for Fe50Al50 and Fe3Al compositions. Both, unpolarized and spin-polarized calculations have been performed to deduce the energetic difference between the paramagnetic and ferromagnetic state of the corresponding structure. Calculations for the disordered structures have also been performed for the previously mentioned compositions. These results show that by disordering the alloy magnetism is enhanced and that the equilibrium lattice parameter increases.

    En este trabajo se presentan cálculos autoconsistentes ab-initio realizados con el método TB-LMTO (Tight Binding Linear Muffin Tin Orbital con el fin de estudiar las diferentes estructuras que se presentan en el diagrama de fases de las aleaciones Fe-Al. Se han estudiado las estructuras ordenadas B2, DO3 y B32 para las siguientes concentraciones: Fe50Al50 y Fe3Al. Asimismo, se han realizado cálculos teniendo y sin tener en cuenta la polarización de spin con el fin de poder deducir la diferencia energética entre los estados ferromágneticos y paramágneticos de la misma estructura. Por otra parte se han realizado estos mismos cálculos para estructuras desordenadas y las mismas concentraciones. Los resultados muestran que mediante el desorden aumenta el magnetismo de estas aleaciones y crece el parámetro de red.

  17. Ab initio theories of electric transport in solid systems with reduced dimensions

    International Nuclear Information System (INIS)

    Weinberger, Peter

    2003-01-01

    Ab initio theories of electric transport in solid systems with reduced dimensions, i.e., systems that at best are characterized by two-dimensional translational invariance, are reviewed in terms of a fully relativistic description of the Kubo-Greenwood equation. As the use of this equation requires concepts such as collinearity and non-collinearity in order to properly define resistivities or resistances corresponding to particular magnetic configurations, respective consequences of the (local) density functional theory are recalled in quite a detailed manner. Furthermore, since theoretical descriptions of solid systems with reduced dimensions require quantum mechanical methods different from bulk systems (three-dimensional periodicity), the so-called Screened Korringa-Kohn-Rostoker (SKKR-) method for layered systems is introduced together with a matching coherent potential approximation (inhomogeneous CPA). The applications shown are mainly meant to illustrate various aspects of electric transport in solid systems with reduced dimensions and comprise not only current-in-plane (CIP) experiments, but also current perpendicular to the planes of atoms geometries, consequences of tunneling, and finite nanostructures at or on metallic substrates. In order to give a more complete view of available ab initio methods also a non-relativistic approach based on the Tight Binding Linear Combination of muffin tin orbitals (TB-LMTO-) method and the so-called Kubo-Landauer equation in terms of transmission and reflection matrices is presented. A compilation of references with respect to ab-initio type approaches not explicitly discussed in here finally concludes the discussion of electric properties in solid systems with reduced dimensions

  18. Precise Orbit Determination of QZS-1

    Science.gov (United States)

    Hugentobler, U.; Steigenberger, P.; Rodriguez-Solano, C.; Hauschild, A.

    2011-12-01

    QZS-1, the first satellite of the Japanese Quasi Zenith Satellite System (QZSS) was launched in September 2010. Transmission of the standard codes started in December 2010 and the satellite was declared healthy in June 2011. Five stations of the COoperative Network for GIOVE Observation (CONGO) were upgraded to provide QZSS tracking capability. These five stations provide the basis for the precise orbit determination (POD) of the QZS-1 spacecraft. The stability and consistency of different orbital arc lengths is analyzed based on orbit fit residuals, day boundary discontinuities, and Satellite Laser Ranging residuals. As QZS-1 simultaneously transmits navigation signals on three frequencies in the L1, L2, and L5 band, different ionosphere-free linear combinations can be formed. The differences of the orbits computed from these different observables (ionosphere-free linear combination of L1/L2 and L1/L5) as well as the stability of the differential code biases estimated within the POD are studied. Finally, results of the attitude determination based on the navigation signal transmission from two different antennas onboard QZS-1 are presented.

  19. Proton microprobe study of tin-polymetallic deposits

    Energy Technology Data Exchange (ETDEWEB)

    Murao, S [Geological Survey of Japan, Tsukuba, Ibaraki (Japan); Sie, S H; Suter, G F [Commonwealth Scientific and Industrial Research Organisation (CSIRO), North Ryde, NSW (Australia). Div. of Exploration Geoscience

    1997-12-31

    Tin-polymetallic vein type deposits are a complex mixture of cassiterite and sulfides and they are the main source of technologically important rare metals such as indium and bismuth. Constituent minerals are usually fine grained having wide range of chemical composition and often the elements of interest occur as trace elements not amenable to electron microprobe analysis. PIXE with a proton microprobe can be an effective tool to study such deposits by delineating the distribution of trace elements among carrier minerals. Two representative indium-bearing deposits of tin- polymetallic type, Tosham of India (Cu-ln-Bi-Sn-W-Ag), and Mount Pleasant of Canada (Zn-Cu-In-Bi-Sn-W), were studied to delineate the distribution of medical/high-tech rare metals and to examine the effectiveness of the proton probe analysis of such ore. One of the results of the study indicated that indium and bismuth are present in chalcopyrite in the deposits. In addition to these important rare metals, zinc, copper, arsenic, antimony, selenium, and tin are common in chalcopyrite and pyrite. Arsenopyrite contains nickel, copper, zinc, silver, tin, antimony and bismuth. In chalcopyrite and pyrite, zinc, arsenic, indium, bismuth and lead are richer in Mount Pleasant ore, but silver is higher at Tosham. Also thallium and gold were found only in Tosham pyrite. The Tosham deposit is related to S-type granite, while Mount Pleasant to A-type. It appears that petrographic character of the source magma is one of the factors to determine the trace element distribution in tin-polymetallic deposit. 6 refs., 2 figs.

  20. Proton microprobe study of tin-polymetallic deposits

    Energy Technology Data Exchange (ETDEWEB)

    Murao, S. [Geological Survey of Japan, Tsukuba, Ibaraki (Japan); Sie, S.H.; Suter, G.F. [Commonwealth Scientific and Industrial Research Organisation (CSIRO), North Ryde, NSW (Australia). Div. of Exploration Geoscience

    1996-12-31

    Tin-polymetallic vein type deposits are a complex mixture of cassiterite and sulfides and they are the main source of technologically important rare metals such as indium and bismuth. Constituent minerals are usually fine grained having wide range of chemical composition and often the elements of interest occur as trace elements not amenable to electron microprobe analysis. PIXE with a proton microprobe can be an effective tool to study such deposits by delineating the distribution of trace elements among carrier minerals. Two representative indium-bearing deposits of tin- polymetallic type, Tosham of India (Cu-ln-Bi-Sn-W-Ag), and Mount Pleasant of Canada (Zn-Cu-In-Bi-Sn-W), were studied to delineate the distribution of medical/high-tech rare metals and to examine the effectiveness of the proton probe analysis of such ore. One of the results of the study indicated that indium and bismuth are present in chalcopyrite in the deposits. In addition to these important rare metals, zinc, copper, arsenic, antimony, selenium, and tin are common in chalcopyrite and pyrite. Arsenopyrite contains nickel, copper, zinc, silver, tin, antimony and bismuth. In chalcopyrite and pyrite, zinc, arsenic, indium, bismuth and lead are richer in Mount Pleasant ore, but silver is higher at Tosham. Also thallium and gold were found only in Tosham pyrite. The Tosham deposit is related to S-type granite, while Mount Pleasant to A-type. It appears that petrographic character of the source magma is one of the factors to determine the trace element distribution in tin-polymetallic deposit. 6 refs., 2 figs.

  1. Proton microprobe study of tin-polymetallic deposits

    International Nuclear Information System (INIS)

    Murao, S.; Sie, S.H.; Suter, G.F.

    1996-01-01

    Tin-polymetallic vein type deposits are a complex mixture of cassiterite and sulfides and they are the main source of technologically important rare metals such as indium and bismuth. Constituent minerals are usually fine grained having wide range of chemical composition and often the elements of interest occur as trace elements not amenable to electron microprobe analysis. PIXE with a proton microprobe can be an effective tool to study such deposits by delineating the distribution of trace elements among carrier minerals. Two representative indium-bearing deposits of tin- polymetallic type, Tosham of India (Cu-ln-Bi-Sn-W-Ag), and Mount Pleasant of Canada (Zn-Cu-In-Bi-Sn-W), were studied to delineate the distribution of medical/high-tech rare metals and to examine the effectiveness of the proton probe analysis of such ore. One of the results of the study indicated that indium and bismuth are present in chalcopyrite in the deposits. In addition to these important rare metals, zinc, copper, arsenic, antimony, selenium, and tin are common in chalcopyrite and pyrite. Arsenopyrite contains nickel, copper, zinc, silver, tin, antimony and bismuth. In chalcopyrite and pyrite, zinc, arsenic, indium, bismuth and lead are richer in Mount Pleasant ore, but silver is higher at Tosham. Also thallium and gold were found only in Tosham pyrite. The Tosham deposit is related to S-type granite, while Mount Pleasant to A-type. It appears that petrographic character of the source magma is one of the factors to determine the trace element distribution in tin-polymetallic deposit. 6 refs., 2 figs

  2. Comparison of 4 analytical techniques based on atomic spectrometry for the determination of total tin in canned foodstuffs

    OpenAIRE

    2011-01-01

    Abstract Different techniques for the determination of total tin in beverage and canned food by atomic spectrometry were compared. The performance characteristics of Inductively Coupled Plasma Mass Spectrometry (ICP-MS), Hydride Generation Inductively Coupled Plasma Atomic Emission Spectrometry (HG-ICP-AES), Electrothermal Atomization Atomic Absorption Spectrometry (ETA-AAS) and Inductively Coupled Plasma Atomic Emission Spectrometry (ICP-AES) were determined in term of linearity, ...

  3. A novel tin-bismuth alloy electrode for anodic stripping voltammetric determination of zinc

    International Nuclear Information System (INIS)

    Pan, D.; Yin, T.; Qin, W.; Zhang, L.; Zhuang, J.

    2012-01-01

    We report on a novel tin-bismuth alloy electrode (SnBiE) for the determination of trace concentrations of zinc ions by square-wave anodic stripping voltammetry without deoxygenation. The SnBiE has the advantages of easy fabrication and low cost, and does not require a pre-treatment (in terms of modification) prior to measurements. A study on the potential window of the electrode revealed a high hydrogen overvoltage though a limited anodic range due to the oxidation of tin. The effects of pH value, accumulation potential, and accumulation time were optimized with respect to the determination of trace zinc(II) at pH 5. 0. The response of the SnBiE to zinc(II) ion is linear in the 0.5-25 μM concentration range. The detection limit is 50 nM (after 60 s of accumulation). The SnBiE was applied to the determination of zinc(II) in wines and honeys, and the results were consistent with those of AAS. (author)

  4. Unilateral Enophthalmos in Linear Scleroderma: A Case Report

    Energy Technology Data Exchange (ETDEWEB)

    Cho, So hyun; Hwang, Hee Young; Choi, Hye Young; Kim, Hyung Sik [Gachon University, Gil Hospital, Incheon (Korea, Republic of)

    2010-04-15

    Linear scleroderma is an uncommon subtype of localized scleroderma, which is characterized by a linear streak that crosses dermatomes and is associated with the tracking of fibrosis from the skin into deeper tissues, including muscle and fascia. A severe form of this condition sometimes causes growth atrophy of bone and supporting tissue in the affected area. Enophthalmos as a manifestation of linear scleroderma is very rare and occurs due to the replacement of orbital fat and muscle with collagen, which finally leads to atrophy of the affected orbit. This report introduces imaging findings of two cases of enophthalmos caused by linear scleroderma

  5. Unilateral Enophthalmos in Linear Scleroderma: A Case Report

    International Nuclear Information System (INIS)

    Cho, So hyun; Hwang, Hee Young; Choi, Hye Young; Kim, Hyung Sik

    2010-01-01

    Linear scleroderma is an uncommon subtype of localized scleroderma, which is characterized by a linear streak that crosses dermatomes and is associated with the tracking of fibrosis from the skin into deeper tissues, including muscle and fascia. A severe form of this condition sometimes causes growth atrophy of bone and supporting tissue in the affected area. Enophthalmos as a manifestation of linear scleroderma is very rare and occurs due to the replacement of orbital fat and muscle with collagen, which finally leads to atrophy of the affected orbit. This report introduces imaging findings of two cases of enophthalmos caused by linear scleroderma

  6. Tribological characterization of TiN coatings prepared by magnetron sputtering

    Science.gov (United States)

    Makwana, Nishant S.; Chauhan, Kamlesh V.; Sonera, Akshay L.; Chauhan, Dharmesh B.; Dave, Divyeshkumar P.; Rawal, Sushant K.

    2018-05-01

    Titanium nitride (TiN) coating deposited on aluminium and brass pin substrates using RF reactive magnetron sputtering. The structural properties and surface morphology were characterized by X-ray diffraction (XRD), atomic force microscope (AFM) and field emission scanning electron microscope (FE-SEM). There was formation of (101) Ti2N, (110) TiN2 and (102) TiN0.30 peaks at 3.5Pa, 2Pa and 1.25Pa sputtering pressure respectively. The tribological properties of coating were inspected using pin on disc tribometer equipment. It was observed that TiN coated aluminium and brass pins demonstrated improved wear resistance than uncoated aluminium and brass pins.

  7. Characterization of tin oxide nanoparticles synthesized via oxidation from metal

    International Nuclear Information System (INIS)

    Abruzzi, R.C.; Dedavid, B.A.; Pires, M.J.R.; Streicher, M.

    2014-01-01

    The tin oxide (SnO_2) is a promising material with great potential for applications such as gas sensors and catalysts. This oxide nanostructures show higher activation efficiency due to its larger effective surface. This paper presents the synthesis and characterization of the tin oxide in different conditions, via oxidation of pure tin with nitric acid. Results obtained from the characterization of SnO_2 powder by X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDX), Particle size by Dynamic Light Scattering (DLS) and Infrared Spectroscopy (FTIR) indicated that the conditions were suitable for the synthesis to obtain manometric tin oxide granules with crystalline structure of rutile. (author)

  8. Tin and tin-titanium as catalyst components for reversible hydrogen storage of sodium aluminium hydride

    Energy Technology Data Exchange (ETDEWEB)

    Qi Jia Fu; Shik Chi Tsang [University of Reading, Reading (United Kingdom). Surface and Catalysis Research Centre, School of Chemistry

    2006-10-15

    This paper is concerned with the effects of adding tin and/or titanium dopant to sodium aluminium hydride for both dehydrogenation and re-hydrogenation reactions during their reversible storage of molecular hydrogen. Temperature programmed decomposition (TPD) measurements show that the dehydrogenation kinetics of NaAlH{sub 4} are significantly enhanced upon doping the material with 2 mol% of tributyltin hydride, Sn(Bu)3H but the tin catalyst dopant is shown to be inferior than titanium. On the other hand, in this preliminary work, a significant synergetic catalytic effect is clearly revealed in material co-doped with both titanium and tin catalysts which shows the highest reversible rates of dehydrogenation and re-hydrogenation (after their hydrogen depletion). The re-hydrogenation rates of depleted Sn/Ti/NaAlH{sub 4} evaluated at both 9.5 and 140 bars hydrogen are also found to be favourable compared to the Ti/NaAlH{sub 4}, which clearly suggest the importance of the catalyst choice. Basing on these results some mechanistic insights for the catalytic reversible dehydrogenation and re-hydrogenation processes of Sn/Ti/NaAlH{sub 4} are therefore made. 31 refs., 8 figs., 2 tabs.

  9. Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory

    International Nuclear Information System (INIS)

    Riplinger, Christoph; Pinski, Peter; Becker, Ute; Neese, Frank; Valeev, Edward F.

    2016-01-01

    Domain based local pair natural orbital coupled cluster theory with single-, double-, and perturbative triple excitations (DLPNO-CCSD(T)) is a highly efficient local correlation method. It is known to be accurate and robust and can be used in a black box fashion in order to obtain coupled cluster quality total energies for large molecules with several hundred atoms. While previous implementations showed near linear scaling up to a few hundred atoms, several nonlinear scaling steps limited the applicability of the method for very large systems. In this work, these limitations are overcome and a linear scaling DLPNO-CCSD(T) method for closed shell systems is reported. The new implementation is based on the concept of sparse maps that was introduced in Part I of this series [P. Pinski, C. Riplinger, E. F. Valeev, and F. Neese, J. Chem. Phys. 143, 034108 (2015)]. Using the sparse map infrastructure, all essential computational steps (integral transformation and storage, initial guess, pair natural orbital construction, amplitude iterations, triples correction) are achieved in a linear scaling fashion. In addition, a number of additional algorithmic improvements are reported that lead to significant speedups of the method. The new, linear-scaling DLPNO-CCSD(T) implementation typically is 7 times faster than the previous implementation and consumes 4 times less disk space for large three-dimensional systems. For linear systems, the performance gains and memory savings are substantially larger. Calculations with more than 20 000 basis functions and 1000 atoms are reported in this work. In all cases, the time required for the coupled cluster step is comparable to or lower than for the preceding Hartree-Fock calculation, even if this is carried out with the efficient resolution-of-the-identity and chain-of-spheres approximations. The new implementation even reduces the error in absolute correlation energies by about a factor of two, compared to the already accurate

  10. Electrodeposition, characterization and corrosion investigations of galvanic tin-zinc layers from pyrophosphate baths

    OpenAIRE

    STOPIC MILENA D.; FRIEDRICH BERND G.

    2016-01-01

    Tin-zinc alloy deposits are recognized as a potential alternative to toxic cadmium as corrosion resistant coatings. Tin-zinc alloy layers offer outstanding corrosion protection for steel by combining the barrier protection of tin with the galvanic protection of zinc. Tin-zinc coatings have been used on the chassis of electrical and electronic apparatus and on critical automotive parts such as fuel and brake line components. In this study, tin-zinc alloy deposits were successfully prepared fro...

  11. Determination of tin in cassiterite ores by colorimetry of iodometry

    International Nuclear Information System (INIS)

    Rodriguez Hernandez, B.

    1972-01-01

    The analytical methods are described far the determination of tin in cassiterite ores. The gallein-colorimetric method is described for determining small amounts of tin, covering the 0,01-0,5 per cent range. The sample is decomposed by heating with ammonium iodide, and tin is analyzed colorimetrically by means of it s complex with gallein. The final measure may be brought about either visually or spectrophotometrically at 525 nm. (Author)

  12. Advances on surface structural determination by LEED

    International Nuclear Information System (INIS)

    Soares, Edmar A; De Carvalho, Vagner E; De Castilho, Caio M C

    2011-01-01

    In the last 40 years, low energy electron diffraction (LEED) has proved to be the most reliable quantitative technique for surface structural determination. In this review, recent developments related to the theory that gives support to LEED structural determination are discussed under a critical analysis of the main theoretical approximation-the muffin-tin calculation. The search methodologies aimed at identifying the best matches between theoretical and experimental intensity versus voltage curves are also considered, with the most recent procedures being reviewed in detail. (topical review)

  13. Methods of orbit correction system optimization

    International Nuclear Information System (INIS)

    Chao, Yu-Chiu.

    1997-01-01

    Extracting optimal performance out of an orbit correction system is an important component of accelerator design and evaluation. The question of effectiveness vs. economy, however, is not always easily tractable. This is especially true in cases where betatron function magnitude and phase advance do not have smooth or periodic dependencies on the physical distance. In this report a program is presented using linear algebraic techniques to address this problem. A systematic recipe is given, supported with quantitative criteria, for arriving at an orbit correction system design with the optimal balance between performance and economy. The orbit referred to in this context can be generalized to include angle, path length, orbit effects on the optical transfer matrix, and simultaneous effects on multiple pass orbits

  14. The recovery of tin, and the production of niobium pentoxide and potassium tantalum fluoride, from a tin slag

    International Nuclear Information System (INIS)

    Iorio, G.; Tyler, M.S.

    1987-01-01

    This report describes the results of testwork on the recovery of tin, niobium, and tantalum from a tin slag. The slag, which consisted mainly of amorphous silica, with varying amounts of calcuim, magnesium, manganese, iron, and aluminium, contained an average of 8,8 per cent niobium pentoxide and 6,2 per cent tantalum pentoxide. The metallic tin-ion phase was removed from the crushed slag by magnetic separation. The slag was then leached with hydrochloric acid to remove magnesium, calcium, aluminium, iron, manganese, and the remainder of the tin. Leaching with sodium hydroxide for the removal of silica and phosphorous was followed by a final leach with hydrochloric acid for the removal of sodium. The upgraded concentrate thus obtained was purified by leaching with hydrofluoric acid, solvent extraction of niobium and tantalum into tri-n-butyl phosphate and methyl isobutyl ketone, and selective stripping of niobium with sulphuric acid and tantalum with ammonium floride. Niobium pentoxide and potassium tantalum fluoride were then precipitated by the addition of ammonium hydroxide and potassium fluoride to the respective strip liquors. The overall recoveries in the upgraded concentrate were 98 per cent for tantalum and 92 per cent for niobium. Dissolutions and recoveries of over 99 per cent were obtained for both tantalum and niobium in the purification steps. The niobium pentoxide and potassium tantalum fluoride precipitates obtained were of high purity

  15. Studies on tin based inorganic ion exchangers for fission products separation

    International Nuclear Information System (INIS)

    Dash, A.; Balasubramanian, K.R.; Murthy, T.S.

    1993-01-01

    Tin(IV) antimonate and hydrous tin(IV) oxide have been prepared and their characteristics are evaluated. A new method has been finalized for the separation of 95 Zr- 95 Nb from irradiated uranium using hydrous tin(IV) oxide. In this process, the irradiated sample is dissolved in concentrated HNO 3 , evaporated to near dryness and taken up in 0.5 M HNO 3 . The solution is passed over tin(IV) oxide column and the isotope eluted with 10 M HNO 3 . The product is obtained in pure nitrate form which is generally preferred for different applications. A method has been finalized for the separation of 106 Ru from fission product solution using tin(IV) antimonate. In this method fission product solution is adjusted to 2 M with respect to nitric acid, 137 Cs is separated on a column of ammonium phosphomolybdate, the effluent after adjustment of acidity to 0.2 M is then passed over a column of tin(IV) antimonate where the effluent contains pure 106 Ru. (author). 14 refs., 6 figs., 2 tabs

  16. Linear methods in band theory

    DEFF Research Database (Denmark)

    Andersen, O. Krogh

    1975-01-01

    of Korringa-Kohn-Rostoker, linear-combination-of-atomic-orbitals, and cellular methods; the secular matrix is linear in energy, the overlap integrals factorize as potential parameters and structure constants, the latter are canonical in the sense that they neither depend on the energy nor the cell volume...

  17. Tin electrodeposition from sulfate solution containing a benzimidazolone derivative

    Directory of Open Access Journals (Sweden)

    Said BAKKALI

    2016-11-01

    Full Text Available Tin electrodeposition in an acidic medium in the presence of N,N’-1,3-bis-[N-3-(6-deoxy-3-O-methyl-D-glucopyranose-6-yl-2-oxobenzimidazol-1-yl]-2-tetradecyloxypropane as an additive was investigated in this work. The adequate current density and the appropriate additive concentration were determined by gravimetric measurements. Chronopotentiometric curves showed that the presence of the additive caused an increase in the overpotential of tin reduction. The investigations by cyclic voltammetry technique revealed that, in the presence and in absence of the additive, there were two peaks, one in the cathodic side attributed to the reduction of Sn2+ and the other one in the anodic side assigned to the oxidation of tin previously formed during the cathodic scan. The surface morphology of the tin deposits was studied by scanning electron microscopy (SEM and XRD.

  18. The Moessbauer effect in binary tin chalcogenides of tin 119

    International Nuclear Information System (INIS)

    Ortalli, I.; Fano, V.

    1975-01-01

    The values of the isomer shift, quadrupole splitting, Moessbauer coefficient, Debye temperature for the tin chalcogenides SnS. SnSe, SnTe are tabulated for the temperatures 80 and 300 K. Temperature dependences of the Moessbauer coefficient and of the effective Debye temperature for SnS, SnSe and SnTe in a temperature range of 78 to 300 K are presented. (Z.S.)

  19. Research into tin and arsenical copper artefacts using nuclear analytical techniques

    International Nuclear Information System (INIS)

    Grant, M.R.

    1995-01-01

    This study includes the chemical analysis, sourcing and historical metallurgy of tin and arsenical copper artefacts discovered at Rooiberg and elsewhere in the Northern Transvaal and at Great Zimbabwe. A complete chemical analysis method for tin and cassiterite is presented, based on INAA (instrumental neutron activation analysis) and supplemented by PIXE or AAS for elements such as lead, bismuth and niobium. This is apparently the first study in which tin artefacts were analysed by INAA without chemical processing of the samples. INAA and PIXE returned the same results when a homogenized tin alloy block was analysed, but the structure and distribution of hardhead phases appear to produce an iron quantification problem in ancient tin. Ores and slags were analysed for light matrix elements by XRF or PIXE and INAA for the heavy trace metals. 108 refs., 24 figs., 130 tabs

  20. Estimating the Probability of Electrical Short Circuits from Tin Whiskers. Part 2

    Science.gov (United States)

    Courey, Karim J.; Asfour, Shihab S.; Onar, Arzu; Bayliss, Jon A.; Ludwig, Larry L.; Wright, Maria C.

    2010-01-01

    To comply with lead-free legislation, many manufacturers have converted from tin-lead to pure tin finishes of electronic components. However, pure tin finishes have a greater propensity to grow tin whiskers than tin-lead finishes. Since tin whiskers present an electrical short circuit hazard in electronic components, simulations have been developed to quantify the risk of said short circuits occurring. Existing risk simulations make the assumption that when a free tin whisker has bridged two adjacent exposed electrical conductors, the result is an electrical short circuit. This conservative assumption is made because shorting is a random event that had an unknown probability associated with it. Note however that due to contact resistance electrical shorts may not occur at lower voltage levels. In our first article we developed an empirical probability model for tin whisker shorting. In this paper, we develop a more comprehensive empirical model using a refined experiment with a larger sample size, in which we studied the effect of varying voltage on the breakdown of the contact resistance which leads to a short circuit. From the resulting data we estimated the probability distribution of an electrical short, as a function of voltage. In addition, the unexpected polycrystalline structure seen in the focused ion beam (FIB) cross section in the first experiment was confirmed in this experiment using transmission electron microscopy (TEM). The FIB was also used to cross section two card guides to facilitate the measurement of the grain size of each card guide's tin plating to determine its finish .

  1. Synthesis, characterization and photoluminescence of tin oxide nanoribbons and nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Duraia, El-Shazly M.A., E-mail: duraia_physics@yahoo.co [Suez Canal University, Faculty of Science, Physics Department, Ismailia (Egypt); Al-Farabi Kazakh National University, Almaty (Kazakhstan); Institute of Physics and Technology, 11 Ibragimov Street, 050032 Almaty (Kazakhstan); Mansorov, Z.A. [Al-Farabi Kazakh National University, Almaty (Kazakhstan); Tokmolden, S. [Institute of Physics and Technology, 11 Ibragimov Street, 050032 Almaty (Kazakhstan)

    2009-11-15

    In this work we report the successful formation of tin oxide nanowires and tin oxide nanoribbons with high yield and by using simple cheap method. We also report the formation of curved nanoribbon, wedge-like tin oxide nanowires and star-like nanowires. The growth mechanism of these structures has been studied. Scanning electron microscope was used in the analysis and the EDX analysis showed that our samples is purely Sn and O with ratio 1:2. X-ray analysis was also used in the characterization of the tin oxide nanowire and showed the high crystallinity of our nanowires. The mechanism of the growth of our1D nanostructures is closely related to the vapor-liquid-solid (VLS) process. The photoluminescence PL measurements for the tin oxide nanowires indicated that there are three stable emission peaks centered at wavelengths 630, 565 and 395 nm. The nature of the transition may be attributed to nanocrystals inside the nanobelts or to Sn or O vacancies occurring during the growth which can induce trapped states in the band gap.

  2. Influence of Microstructure on the Electrical Properties of Heteroepitaxial TiN Films

    Science.gov (United States)

    Xiang, Wenfeng; Liu, Yuan; Zhang, Jiaqi

    2018-03-01

    Heteroepitaxial TiN films were deposited on Si substrates by pulse laser deposition at different substrate temperature. The microstructure and surface morphology of the films were investigated by X-ray diffraction (θ-2θ scan, ω-scan, and ϕ-scan) and atomic force microscopy. The electrical properties of the prepared TiN films were studied using a physical property measurement system. The experimental results showed that the crystallinity and surface morphology of the TiN films were improved gradually with increasing substrate temperature below 700 °C. Specially, single crystal TiN films were prepared when substrate temperature is above 700 °C; However, the quality of TiN films gradually worsened when the substrate temperature was increased further. The electrical properties of the films were directly correlated to their crystalline quality. At the optimal substrate temperature of 700 °C, the TiN films exhibited the lowest resistivity and highest mobility of 25.7 μΩ cm and 36.1 cm2/V s, respectively. In addition, the mechanism concerning the influence of substrate temperature on the microstructure of TiN films is discussed in detail.

  3. Evaluation of the global orbit correction algorithm for the APS real-time orbit feedback system

    International Nuclear Information System (INIS)

    Carwardine, J.; Evans, K. Jr.

    1997-01-01

    The APS real-time orbit feedback system uses 38 correctors per plane and has available up to 320 rf beam position monitors. Orbit correction is implemented using multiple digital signal processors. Singular value decomposition is used to generate a correction matrix from a linear response matrix model of the storage ring lattice. This paper evaluates the performance of the APS system in terms of its ability to correct localized and distributed sources of orbit motion. The impact of regulator gain and bandwidth, choice of beam position monitors, and corrector dynamics are discussed. The weighted least-squares algorithm is reviewed in the context of local feedback

  4. Electrochemical reduction of trinitrotoluene on core-shell tin-carbon electrodes

    International Nuclear Information System (INIS)

    Grigoriants, Irena; Markovsky, Boris; Persky, Rachel; Perelshtein, Ilana; Gedanken, Aharon; Aurbach, Doron; Filanovsky, Boris; Bourenko, Tatiana; Felner, Israel

    2008-01-01

    In this work, we studied the electrochemical process of 2,4,6-trinitrotoluene (TNT) reduction on a new type of electrodes based on a core-shell tin-carbon Sn(C) structure. The Sn(C) composite was prepared from the precursor tetramethyl-tin Sn(CH 3 ) 4 , and the product contained a core of submicron-sized tin particles uniformly enveloped with carbon shells. Cyclic voltammograms of Sn(C) electrodes in aqueous sodium chloride solutions containing TNT show three well-pronounced reduction waves in the potential range of -0.50 to -0.80 V (vs. an Ag/AgCl/Cl - reference electrode) that correspond to the multistep process of TNT reduction. Electrodes containing Sn(C) particles annealed at 800 deg. C under argon develop higher voltammetric currents of TNT reduction (comparing to the as-prepared tin-carbon material) due to stabilization of the carbon shell. It is suggested that the reduction of TNT on core-shell tin-carbon electrodes is an electrochemically irreversible process. A partial oxidation of the TNT reduction products occurred at around -0.20 V. The electrochemical response of TNT reduction shows that it is not controlled by the diffusion of the active species to/from the electrodes but rather by interfacial charge transfer and possible adsorption phenomena. The tin-carbon electrodes demonstrate significantly stable behavior for TNT reduction in NaCl solutions and provide sufficient reproducibility with no surface fouling through prolonged voltammetric cycling. It is presumed that tin nanoparticles, which constitute the core, are electrochemically inactive towards TNT reduction, but Sn or SnO 2 formed on the electrodes during TNT reduction may participate in this reaction as catalysts or carbon-modifying agents. The nitro-groups of TNT can be reduced irreversibly (via two possible paths) by three six-electron transfers, to 2,4,6-triaminotoluene, as follows from mass-spectrometric studies. The tin-carbon electrodes described herein may serve as amperometric sensors

  5. Chemical Vapor Identification by Plasma Treated Thick Film Tin Oxide Gas Sensor Array and Pattern Recognition

    Directory of Open Access Journals (Sweden)

    J. K. Srivastava

    2011-02-01

    Full Text Available Present study deals the class recognition potential of a four element plasma treated thick film tin oxide gas sensor array exposed with volatile organic compounds (VOCs. Methanol, Ethanol and Acetone are selected as target VOCs and exposed on sensor array at different concentration in range from 100-1000 ppm. Sensor array consist of four tin oxide sensors doped with 1-4 % PbO concentrations were fabricated by thick film technology and then treated with oxygen plasma for 5-10 minute durations. Sensor signal is analyzed by principal component analysis (PCA for visual classification of VOCs. Further output of PCA is used as input for classification of VOCs by four pattern classification techniques as: linear discriminant analysis (LDA, k-nearest neighbor (KNN, back propagation neural network (BPNN and support vector machine (SVM. All the four classifier results 100 % correct classification rate of VOCs by response analysis of sensor array treated with plasma for 5 minute.

  6. Shanghai Futures Exchange Published Draft of Tin and Nickel Futures Contract

    Institute of Scientific and Technical Information of China (English)

    2015-01-01

    Shanghai Futures Exchange published draft for soliciting opinions for tin and nickel futures contract on its official website on January 19,which implies the marketing time of the long awaited tin and nickel futures is drawing near.According to the draft for soliciting opinions,the transaction unit of tin futures contract is 1tonne/lot,minimum variation unit is 10 yuan/tonne,daily maximum price fluctuation shall

  7. VO2 /TiN Plasmonic Thermochromic Smart Coatings for Room-Temperature Applications.

    Science.gov (United States)

    Hao, Qi; Li, Wan; Xu, Huiyan; Wang, Jiawei; Yin, Yin; Wang, Huaiyu; Ma, Libo; Ma, Fei; Jiang, Xuchuan; Schmidt, Oliver G; Chu, Paul K

    2018-03-01

    Vanadium dioxide/titanium nitride (VO 2 /TiN) smart coatings are prepared by hybridizing thermochromic VO 2 with plasmonic TiN nanoparticles. The VO 2 /TiN coatings can control infrared (IR) radiation dynamically in accordance with the ambient temperature and illumination intensity. It blocks IR light under strong illumination at 28 °C but is IR transparent under weak irradiation conditions or at a low temperature of 20 °C. The VO 2 /TiN coatings exhibit a good integral visible transmittance of up to 51% and excellent IR switching efficiency of 48% at 2000 nm. These unique advantages make VO 2 /TiN promising as smart energy-saving windows. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Tinned fish with radioprotective ingredients

    International Nuclear Information System (INIS)

    Chaneva, M.; Minkova, M.; Zajko, G.

    1992-01-01

    A survey of food ingredients with pronounced radioprotective properties is made. The protective effect of fish proteins and some vegetable oils is mentioned. As suitable additives to tinned fish during the manufacturing process the β carotene, anthocyans and apple pectin are pointed out. β-carotene possesses the ability to absorb radiations. It can be added either as a pure crystalline substance or dissolved in the vegetable oil. Anthocyans have an antimutagen effect due to their ability to inhibit free radical reactions. Some vegetable polyphenols can be added with wine. The Bulgarian anthocyan concentrate Enobagrin (made by extraction of marc and wine) is also proposed. A combination of Enobagrin, β-tocopherol and pyracetam decreases the postradiation hypoplasia. Special attention is paid to the importance of the pectin in intoxication with heavy radioactive metals. It is thought that the pectin forms unsoluble complex compounds with Fe, Zn, Cd, Co, Pb, Hg, Mn, Cr. The binding energy depends on the available carboxylic groups. Some experiments showing the interaction of the pectin with 90 Sr are mentioned. In the tinned fish the pectin can be introduced with tomato paste. Vegetables rich in pectin and carotene - carrots and tomato concentrate - can be added as well. Proposed enriched tinned fish can be used as a preventive radioprotective food under conditions of increased radiation risk. 19 refs

  9. Calculations of resistivity and superconducting T/sub c/ in transition metals

    International Nuclear Information System (INIS)

    Allen, P.B.; Beaulac, T.P.; Khan, F.S.; Butler, W.H.; Pinski, F.J.; Swihart, J.C.

    1985-01-01

    A survey is given of various electron-phonon effects which have been calculated for the metals Nb, Mo, Ta, Pd, and Cu. These effects include the mass enhancement λ, superconducting T/sub c/, electrical and thermal resistivity, Hall coefficient, magnetoresistance, and the successfully tested predictions of linewidths γ 0 of phonons. The calculations use local density approximations (LDA) energy bands, experimental phonons, and the rigid muffin tin (RMT) approximation. Mesh size noise is less than 1% and the Bloch-Boltzmann integral equation has been solved to unprecedented accuracy

  10. Separation of substandard tin ores by x-ray fluorescence method

    International Nuclear Information System (INIS)

    Kotler, N.I.; Konovalov, V.M.; Kamenskij, Yu.V.; Neverov, A.D.; Ogorodnikov, Yu.V.

    1987-01-01

    Analysis of pure tin ores on X-ray fluorescence separation (XFS) is carried out. The volumes of lump sampling are substantiated; several variants of technical and economical efficiency of XFS application have been calculated. It is shown that at XFS of -400+25 mm classes conditional as to tin content intermediate product with high efficiency factor may be prepared. Separation of -25+10 mm class is unsuitable, as it doesn't allow to increase tin content to conditional, and the process efficiency is low

  11. Tin - an unlikely ally for silicon field effect transistors?

    KAUST Repository

    Hussain, Aftab M.

    2014-01-13

    We explore the effectiveness of tin (Sn), by alloying it with silicon, to use SiSn as a channel material to extend the performance of silicon based complementary metal oxide semiconductors. Our density functional theory based simulation shows that incorporation of tin reduces the band gap of Si(Sn). We fabricated our device with SiSn channel material using a low cost and scalable thermal diffusion process of tin into silicon. Our high-κ/metal gate based multi-gate-field-effect-transistors using SiSn as channel material show performance enhancement, which is in accordance with the theoretical analysis. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Tin Whisker Formation — A Stress Relieve Phenomenon

    Science.gov (United States)

    Dittes, M.; Oberndorff, P.; Crema, P.; Su, P.

    2006-02-01

    With the move towards lead-free electronics also the solderable finish of electronic components' terminations are converted. While the typical finish was containing 5 % to 20 % lead (Pb) and thus was almost whisker free, lead (Pb)-free finishes such as pure tin or high tin alloys are rather prone to grow whisker. These whiskers are spontaneous protrusions that grow to a significant length of up to millimeters with a typical diameter in the range of few microns and are suspect to cause shorts in electronic assemblies. The latest details of the mechanisms are not yet understood. However it appears to be well established that the driving force for tin whisker growth is a compressive stress in the tin layer and that this stress is released by whisker formation. Besides the mechanism for whisker growth therefore the mechanism of the stress induction is of interest. The origin of that stress may have multiple sources. Among others the most important one is the volume increase within the tin layer due the formation of intermetallics at the interface to the base material. This applies to all copper based material. For base materials with a coefficient of thermal expansion (cte) significantly different from the tin finish another mechanism plays the dominant role. This is the induction of stress during thermal cycling due to the different expansion of the materials with every temperature change. Another mechanism for stress induction may be the oxidation of the finish, which also leads to a local volume increase. Based on the knowledge of stress induction various mitigation strategies can be deducted. Most common is the introduction of a diffusion barrier (e.g. Ni) in order to prevent the growth of the Cu-Sn intermetallics, the controlled growth of Cu-Sn intermetallics in order to prevent their irregularity or the introduction of a mechanical buffer material targeting at the minimisation of the cte mismatch between base and finish material. With respect to the stress

  13. Electrochemical migration of tin in electronics and microstructure of the dendrites

    DEFF Research Database (Denmark)

    Minzari, Daniel; Grumsen, Flemming Bjerg; Jellesen, Morten Stendahl

    2011-01-01

    The macro-, micro-, and nano-scale morphology and structure of tin dendrites, formed by electrochemical migration on a surface mount ceramic chip resistor having electrodes consisting of tin with small amounts of Pb (∼2wt.%) was investigated by scanning electron microscopy and transmission electr...... by the dehydration of the hydrated oxide originally formed in solution ex-situ in ambient air.......The macro-, micro-, and nano-scale morphology and structure of tin dendrites, formed by electrochemical migration on a surface mount ceramic chip resistor having electrodes consisting of tin with small amounts of Pb (∼2wt.%) was investigated by scanning electron microscopy and transmission electron...... microscopy including Energy dispersive X-ray spectroscopy and electron diffraction. The tin dendrites were formed under 5 or 12V potential bias in 10ppm by weight NaCl electrolyte as a micro-droplet on the resistor during electrochemical migration experiments. The dendrites formed were found to have...

  14. Trace hydrogen extraction from liquid lithium tin alloy

    International Nuclear Information System (INIS)

    Xie Bo; Hu Rui; Xie Shuxian; Weng Kuiping

    2010-01-01

    In order to finish the design of tritium extraction system (TES) of fusion fission hybrid reactor (FFHR) tritium blanket, involving the dynamic mathematical model of liquid metal in contact with a gaseous atmosphere, approximate mathematical equation of tritium in lithium tin alloy was deduced. Moreover, carrying process used for trace hydrogen extraction from liquid lithium tin alloy was investigated with hydrogen being used to simulate tritium in the study. The study results indicate that carrying process is effective way for hydrogen extraction from liquid lithium tin alloy, and the best flow velocity of carrier gas is about 4 L/min under 1 kg alloy temperatures and carrying numbers are the main influencing factors of hydrogen number. Hydrogen extraction efficiency can reach 85% while the alloy sample is treated 6 times at 823 K. (authors)

  15. Selective Recovery of Mushistonite from Gravity Tailings of Copper–Tin Minerals in Tajikistan

    Directory of Open Access Journals (Sweden)

    Lei Sun

    2017-12-01

    Full Text Available Tajikistan has abundant copper–tin resources. In this study, mineralogical analysis of copper–tin ores from the Mushiston deposit of Tajikistan indicates that tin mainly occurred in mushistonite, cassiterite, and stannite, while copper mainly occurred in mushistonite, malachite, azurite, and stannite. The total grades of tin (Sn and copper (Cu were 0.65% and 0.66%, respectively, and the dissemination size of copper–tin minerals ranged from 4 μm to over 200 μm. Coarse particles of copper–tin minerals were partially recovered by shaking table concentrators with a low recovery rate. Based on the mineralogical analysis, flotation recovery was used for the first time on the fine particles of copper–tin minerals, including mushistonite, from shaking table tailings. Single factor flotation experiments, open circuit flotation tests, and closed circuit flotation tests were performed to determine the optimized flotation conditions. Results indicated that benzohydroxamic acid (C6H5CONHOH and lead nitrate could effectively recover the mushistonite, cooperating with other depressants. The final concentrate contained 13.28% Sn, with a recovery rate of 61.56%, and 18.51% Cu, with a recovery rate of 86.52%. This method proved effective for the exploitation and use of this type of copper–tin resource in Tajikistan.

  16. Determination of total tin in canned food using inductively coupled plasma atomic emission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Perring, Loic; Basic-Dvorzak, Marija [Department of Quality and Safety Assurance, Nestle Research Centre, P.O. Box 44, Vers chez-les-Blanc, 1000, Lausanne (Switzerland)

    2002-09-01

    Tin is considered to be a priority contaminant by the Codex Alimentarius Commission. Tin can enter foods either from natural sources, environmental pollution, packaging material or pesticides. Higher concentrations are found in processed food and canned foods. Dissolution of the tinplate depends on the of food matrix, acidity, presence of oxidising reagents (anthocyanin, nitrate, iron and copper) presence of air (oxygen) in the headspace, time and storage temperature. To reduce corrosion and dissolution of tin, nowadays cans are usually lacquered, which gives a marked reduction of tin migration into the food product. Due to the lack of modern validated published methods for food products, an ICP-AES (Inductively coupled plasma-atomic emission spectroscopy) method has been developed and evaluated. This technique is available in many laboratories in the food industry and is more sensitive than atomic absorption. Conditions of sample preparation and spectroscopic parameters for tin measurement by axial ICP-AES were investigated for their ruggedness. Two methods of preparation involving high-pressure ashing or microwave digestion in volumetric flasks were evaluated. They gave complete recovery of tin with similar accuracy and precision. Recoveries of tin from spiked products with two levels of tin were in the range 99{+-}5%. Robust relative repeatabilities and intermediate reproducibilities were <5% for different food matrices containing >30 mg/kg of tin. Internal standard correction (indium or strontium) did not improve the method performance. Three emission lines for tin were tested (189.927, 283.998 and 235.485 nm) but only 189.927 nm was found to be robust enough with respect to interferences, especially at low tin concentrations. The LOQ (limit of quantification) was around 0.8 mg/kg at 189.927 nm. A survey of tin content in a range of canned foods is given. (orig.)

  17. Inductively coupled plasma atomic emission spectrometric determination of tin in canned food.

    Science.gov (United States)

    Sumitani, H; Suekane, S; Nakatani, A; Tatsuka, K

    1993-01-01

    Various canned foods were digested sequentially with HNO3 and HCl, diluted to 100 mL, and filtered, and then tin was determined by inductively coupled plasma atomic emission spectrometry (ICP/AES). Samples of canned Satsuma mandarin, peach, apricot, pineapple, apple juice, mushroom, asparagus, evaporated milk, short-necked clam, spinach, whole tomato, meat, and salmon were evaluated. Sample preparations did not require time-consuming dilutions, because ICP/AES has wide dynamic range. The standard addition method was used to determine tin concentration. Accuracy of the method was tested by analyzing analytical standards containing tin at 2 levels (50 and 250 micrograms/g). The amounts of tin found for the 50 and 250 micrograms/g levels were 50.5 and 256 micrograms/g, respectively, and the repeatability coefficients of variation were 4.0 and 3.8%, respectively. Recovery of tin from 13 canned foods spiked at 2 levels (50 and 250 micrograms/g) ranged from 93.9 to 109.4%, with a mean of 99.2%. The quantitation limit for tin standard solution was about 0.5 microgram/g.

  18. Single-Stroke Synthesis of Tin Sulphide/Oxide Nanocomposites Within Engineering Thermoplastic and Their Humidity Response.

    Science.gov (United States)

    Adkar, Dattatraya; Adhyapak, Parag; Mulik, Uttamrao; Jadkar, Sandesh; Vutova, Katia; Amalnerkar, Dinesh

    2018-05-01

    SnS nanostructured materials have attracted enormous interest due to their important properties and potential application in low cost solar energy conversion systems and optical devices. From the perspective of SnS based device fabrication, we offer single-stroke in-situ technique for the generation of Sn based sulphide and oxide nanostructures inside the polymer network via polymer-inorganic solid state reaction route. In this method, polyphenylene sulphide (PPS)-an engineering thermoplastic-acts as chalcogen source as well as stabilizing matrix for the resultant nano products. Typical solid state reaction was accomplished by simply heating the physical admixtures of the tin salts (viz. tin acetate/tin chloride) with PPS at the crystalline melting temperature (285 °C) of PPS in inert atmosphere. The synthesized products were characterized by using various physicochemical characterization techniques. The prima facie observations suggest the concurrent formation of nanocrystalline SnS with extraneous oxide phase. The TEM analysis revealed formation of nanosized particles of assorted morphological features with polydispersity confined to 5 to 50 nm. However, agglomerated particles of nano to submicron size were also observed. The humidity sensing characterization of these nanocomposites was also performed. The resistivity response with the level of humidity (20 to 85% RH) was compared for these nanocomposites. The linear response was obtained for both the products. Nevertheless, the nanocomposite product obtained from acetate precursor showed higher sensitivity towards the humidity than that of one prepared from chloride precursor.

  19. Quadtree of TIN: a new algorithm of dynamic LOD

    Science.gov (United States)

    Zhang, Junfeng; Fei, Lifan; Chen, Zhen

    2009-10-01

    Currently, Real-time visualization of large-scale digital elevation model mainly employs the regular structure of GRID based on quadtree and triangle simplification methods based on irregular triangulated network (TIN). TIN is a refined means to express the terrain surface in the computer science, compared with GRID. However, the data structure of TIN model is complex, and is difficult to realize view-dependence representation of level of detail (LOD) quickly. GRID is a simple method to realize the LOD of terrain, but contains more triangle count. A new algorithm, which takes full advantage of the two methods' merit, is presented in this paper. This algorithm combines TIN with quadtree structure to realize the view-dependence LOD controlling over the irregular sampling point sets, and holds the details through the distance of viewpoint and the geometric error of terrain. Experiments indicate that this approach can generate an efficient quadtree triangulation hierarchy over any irregular sampling point sets and achieve dynamic and visual multi-resolution performance of large-scale terrain at real-time.

  20. Air-Cored Linear Induction Motor for Earth-to-Orbit Systems

    Science.gov (United States)

    Zabar, Zivan; Levi, Enrico; Birenbaum, Leo

    1996-01-01

    The need for lowering the cost of Earth-to-Orbit (ETO) launches has prompted consideration of electromagnetic launchers. A preliminary design based on the experience gained in an advanced type of coilgun and on innovative ideas shows that such a launcher is technically feasible with almost off-the-shelf components.

  1. Properties of Polydisperse Tin-doped Dysprosium and Indium Oxides

    Directory of Open Access Journals (Sweden)

    Malinovskaya Tatyana

    2017-01-01

    Full Text Available The results of investigations of the complex permittivity, diffuse-reflectance, and characteristics of crystal lattices of tin-doped indium and dysprosium oxides are presented. Using the methods of spectroscopy and X-ray diffraction analysis, it is shown that doping of indium oxide with tin results in a significant increase of the components of the indium oxide complex permittivity and an appearance of the plasma resonance in its diffuse-reflectance spectra. This indicates the appearance of charge carriers with the concentration of more than 1021 cm−3 in the materials. On the other hand, doping of the dysprosium oxide with the same amount of tin has no effect on its optical and electromagnetic properties.

  2. Evaluation of the suitability of tin slag in cementitious materials: Mechanical properties and Leaching behaviour

    Science.gov (United States)

    Rustandi, Andi; Wafa' Nawawi, Fuad; Pratesa, Yudha; Cahyadi, Agung

    2018-01-01

    Tin slag, a by-product of tin production has been used in cementitious application. The present investigation focuses on the suitability of tin slag as primary component in cement and as component that substitute some amount of Portland Cement. The tin slags studied were taken from Bangka, Indonesia. The main contents of the tin slag are SiO2, Al2O3, and Fe2O3 according to the XRF investigation. The aim of this article was to study the mechanical behaviour (compressive strength), microstructure and leaching behaviour of tin slag blended cement. This study used air-cooled tin slag that had been passed through 400# sieve to replace Portland Cement with ratio 0, 10, 20, 30, 40 by weight. Cement pastes and tin slag blended cement pastes were prepared by using water/cement ratio (W/C) of 0.40 by weight and hydrated for various curing ages of 3, 7, 14 days The microstructure of the raw tin slag was investigated using Scanning Electron Microscope (SEM). The phase composition of each cement paste was investigated using X-ray Diffraction (XRD). The aim of the leachability test was to investigate the environmental impacts of tin slag blended cement product in the range 4-8 pH by using static pH-dependent leaching test. The result show that the increase of the tin slag content decreasing the mortar compressive strength at early ages. The use of tin slag in cement provide economic benefits for all related industries.

  3. The effect of substrate temperature on atomic layer deposited zinc tin oxide

    Energy Technology Data Exchange (ETDEWEB)

    Lindahl, Johan, E-mail: johan.lindahl@angstrom.uu.se; Hägglund, Carl, E-mail: carl.hagglund@angstrom.uu.se; Wätjen, J. Timo, E-mail: timo.watjen@angstrom.uu.se; Edoff, Marika, E-mail: marika.edoff@angstrom.uu.se; Törndahl, Tobias, E-mail: tobias.torndahl@angstrom.uu.se

    2015-07-01

    Zinc tin oxide (ZTO) thin films were deposited on glass substrates by atomic layer deposition (ALD), and the film properties were investigated for varying deposition temperatures in the range of 90 to 180 °C. It was found that the [Sn]/([Sn] + [Zn]) composition is only slightly temperature dependent, while properties such as growth rate, film density, material structure and band gap are more strongly affected. The growth rate dependence on deposition temperature varies with the relative number of zinc or tin containing precursor pulses and it correlates with the growth rate behavior of pure ZnO and SnO{sub x} ALD. In contrast to the pure ZnO phase, the density of the mixed ZTO films is found to depend on the deposition temperature and it increases linearly with about 1 g/cm{sup 3} in total over the investigated range. Characterization by transmission electron microscopy suggests that zinc rich ZTO films contain small (~ 10 nm) ZnO or ZnO(Sn) crystallites embedded in an amorphous matrix, and that these crystallites increase in size with increasing zinc content and deposition temperature. These crystallites are small enough for quantum confinement effects to reduce the optical band gap of the ZTO films as they grow in size with increasing deposition temperature. - Highlights: • Zinc tin oxide thin films were deposited by atomic layer deposition. • The structure and optical properties were studied at different growth temperatures. • The growth temperature had only a small effect on the composition of the films. • Small ZnO or ZnO(Sn) crystallites were observed by TEM in zinc rich ZTO films. • The growth temperature affects the crystallite size, which influences the band gap.

  4. The effect of substrate temperature on atomic layer deposited zinc tin oxide

    International Nuclear Information System (INIS)

    Lindahl, Johan; Hägglund, Carl; Wätjen, J. Timo; Edoff, Marika; Törndahl, Tobias

    2015-01-01

    Zinc tin oxide (ZTO) thin films were deposited on glass substrates by atomic layer deposition (ALD), and the film properties were investigated for varying deposition temperatures in the range of 90 to 180 °C. It was found that the [Sn]/([Sn] + [Zn]) composition is only slightly temperature dependent, while properties such as growth rate, film density, material structure and band gap are more strongly affected. The growth rate dependence on deposition temperature varies with the relative number of zinc or tin containing precursor pulses and it correlates with the growth rate behavior of pure ZnO and SnO x ALD. In contrast to the pure ZnO phase, the density of the mixed ZTO films is found to depend on the deposition temperature and it increases linearly with about 1 g/cm 3 in total over the investigated range. Characterization by transmission electron microscopy suggests that zinc rich ZTO films contain small (~ 10 nm) ZnO or ZnO(Sn) crystallites embedded in an amorphous matrix, and that these crystallites increase in size with increasing zinc content and deposition temperature. These crystallites are small enough for quantum confinement effects to reduce the optical band gap of the ZTO films as they grow in size with increasing deposition temperature. - Highlights: • Zinc tin oxide thin films were deposited by atomic layer deposition. • The structure and optical properties were studied at different growth temperatures. • The growth temperature had only a small effect on the composition of the films. • Small ZnO or ZnO(Sn) crystallites were observed by TEM in zinc rich ZTO films. • The growth temperature affects the crystallite size, which influences the band gap

  5. NASA Goddard Space Flight Center Tin Whisker (and Other Metal Whisker) Homepage

    Science.gov (United States)

    Brusse, Jay; Sampson, Mike; Leidecker, Henning; Kadesch, Jong

    2004-01-01

    This website provides information about tin whiskers and related research. The independent research performed during the past 50+ years is so vast that it is impractical to cover all aspects of tin whiskers in this one resource. Therefore, the absence of information in this website about a particular aspect of tin whiskers should NOT be construed as evidence of absence.

  6. Tin in canned food: a review and understanding of occurrence and effect.

    Science.gov (United States)

    Blunden, Steve; Wallace, Tony

    2003-12-01

    Tinplate is light gauge, steel sheet or strip, coated on both sides with commercially pure tin and has been used for well over a hundred years as a robust form of food packaging. Altogether, about 25,000 million food cans are produced and filled in Europe per annum, about 20% of these having plain internal (unlacquered) tin-coated steel bodies. Worldwide, the total for food packaging is approximately 80,000 million cans. Tinplate is also extensively used for the production of beverage cans. Europe produces and fills over 15,000 million tinplate beverage cans per annum all of which are internally lacquered. The use of tinplate for food and beverage packaging, will result in some tin dissolving into the food content, particularly when plain uncoated internal surfaces are used. The Provisional Tolerable Weekly Intake for tin is 14 mg/kg body weight and recommended maximum permissible levels of tin in food are typically 250 mg/kg (200 mg/kg UK) for solid foods and 150 mg/kg for beverages. However, the question arises as to whether evidence exists that such elevated levels of tin in food in any way constitute a risk to human health. This review considers the factors affecting the dissolution of tin, the reported measurements/surveys of actual levels of tin in canned foods and the studies and reports of acute (short term) toxicity relating to the ingestion of elevated levels of tin in food products. Chronic studies are mentioned, but are not covered in detail, since the review is mainly concerned with possible effects from the ingestion of single high doses. From published data, there appears to be a small amount of evidence suggesting that consumption of food or beverages containing tin at concentrations at or below 200 ppm has caused adverse gastrointestinal effects in an unknown but possibly small proportion of those exposed. However, the evidence supporting this assertion is derived from reports of adverse effects which offer data that are limited, incomplete or of

  7. Determination of tungsten and tin ions after preconcentration by flotation

    International Nuclear Information System (INIS)

    Dietze, U.; Kunze, S.

    1990-01-01

    A highly sensitive and selective combined method of flotation followed by spectrophotometry/d.c. polarography for the determination of tungsten and tin ions in acid and alkaline waste waters and hydrometallurgical solutions is presented here. Both kinds of ions are coprecipitated in the analyte solution with zirconium hydroxide after addition of ZrOCl 2 solution and ammonia. Afterwards, the collector precipitate is separated from the aqueous phase and preconcentrated by flotation for which sodium oleate and a frother are added. The precipitate is dissolved in a small amount of acid, with the organic reagents being destroyed by oxidation. The enrichment factor of the proposed technique is 100, with variations possible. Recovery is 94 % for tungsten and 99 % for tin. Spectrophotometry of the thiocyanate complex and d.c. polarography are applied as determination techniques for tungsten and tin, respectively. Detection limits attainable by this technique are 6 ng.ml -1 for tungsten and 5 ng.ml -1 for tin for the initial sample. (Authors)

  8. Structure and Chemical Bonding of the Li-Doped Polar Intermetallic RE2In1−xLixGe2 (RE = La, Nd, Sm, Gd; x = 0.13, 0.28, 0.43, 0.53 System

    Directory of Open Access Journals (Sweden)

    Junsu Lee

    2018-03-01

    Full Text Available Four polar intermetallic compounds belonging to the RE2In1−xLixGe2 (RE = La, Nd, Sm, Gd; x = 0.13(1, 0.28(1, 0.43(1, 0.53(1 system have been synthesized by the traditional solid-state reaction method, and their crystal structures have been characterized by single-crystal X-ray diffraction (SXRD analyses. The isotypic crystal structures of four title compounds adopt the Mo2FeB2-type structure having the tetragonal space group P4/mbm (Z = 2, Pearson code tP40 with three crystallographically independent atomic sites and can be simply described as a pile of the identical 2-dimensioanl (2D RE2In1-xLixGe2 slabs stacked along the c-axis direction. The substituting Li atom shows a particular site preference for replacing In at the Wyckoff 2a site rather than Ge at the Wyckoff 4g in this crystal structure. As the size of a used rare-earth metal decreases from La3+ to Gd3+ throughout the title system, the Ge-Ge and Ge-In/Li bond distances, both of which consist of the 2D anionic Ge2(In/Li layer, gradually decrease resulting in the reduction of a unit cell volume. A series of theoretical investigations has been performed using a hypothetical structure model Gd2In0.5Li0.5Ge2 by tight-binding linear muffin-tin orbital (TB-LMTO method. The resultant densities of states (DOS value at the Fermi level (EF suggests a metallic conductivity for this particular composition, and this calculation result is in a good agreement with the formal charge distribution assigning two extra valence electrons for a metal-metal bond in the conduction band. The thorough analyses of six crystal orbital Hamilton population (COHP curves representing various interatomic interactions and an electron localization function (ELF diagram indicating the locations of paired-electron densities are also provided in this article.

  9. Radiation levels and countermeasure research on radiological protection in tin mine in china

    International Nuclear Information System (INIS)

    Yang Fengfang; Yuan Yongling

    2010-01-01

    Objective: To study the distribution of radiation level in our nation's tin mine, therefore comes up with proposals on radiological protection and provide scientific evidence on how to protect lives and health of worker underground in tin mine. Methods: To get the radiation level of the underground workplaces in tin mine by analysis of research papers and the measuring results from on-scene investigations. Results: Majority of the absorbed dose rates of γ radiation in the air of underground workplaces in tin mine falls within the range of radiation levels of normal background. Earlier, the typical values of radon concentration and potential alpha energy concentration of radon daughters in the air of underground workplaces in tin mine are 3.12 kBq/m 3 and 5.61 μJ/m 3 respectively. Now, radon concentration and potential alpha energy concentration of radon daughters in the air of underground workplaces in majority of tin mine are lower than 1000 Bq/m 3 and 3.57 μJ/m 3 . Conclusion: For these tin mine workers with an average of annual effective dose greater than 1 mSv or these of their specific activity for natural uranium in materials are greater than 1 Bq/g need to have regulation of radiological protection. The control limits for the radon concentration and the potential alpha energy concentration of radon daughters and the absorbed dose rates of γ radiation in the air of underground workplaces in tin mine are 1000 Bq/m3, 3.57 μJ/m 3 and 1 μGy/h respectively. The administrative individual dose for workers working under the ground of tin mine is 10 mSv/a. If a worker's total annual effective dose is greater than 10 mSv, he/she should be considered as radioactive worker. (authors)

  10. PCBs with immersion tin finish - some experiences with lead-free reflow process

    Energy Technology Data Exchange (ETDEWEB)

    Bukat, K.; Koziol, G.; Sitek, J.; Borecki, J.; Hackiewicz, H. [Tele and Radio Research Inst., Warsaw (Poland); Merkle, H.; Schroeder, S. [Ormecon Chemie GmbH and Co. KG, Ammersbek (Germany); Girulska, A.; Gardela, K. [Eldos Sp. z o.o., Wroclaw (Poland)

    2004-07-01

    Substitution of lead-free solders in electronic assemblies requires changes in the conventional SnPb finishes of PCBs. The Craft project ''PRINT'' objectives respond to this challenge. Its main goal is to develop and implement the new technology of high solderability immersion tin for printed circuit boards at small and medium enterprises. The subject of the research was organic based immersion tin coating which would fulfil demands of SMT. In the paper the results of reflow soldering process on PCBs covered by Ormecon registered immersion tin finish with using lead-free solder pastes will be described. Solderability of tin coating as well as wettability of lead-free solder paste will be presented. (orig.)

  11. Electrochemical migration of tin in electronics and microstructure of the dendrites

    Energy Technology Data Exchange (ETDEWEB)

    Minzari, Daniel, E-mail: dmin@mek.dtu.d [Section for Materials and Surface Technology, Department for Mechanical Engineering, Technical University of Denmark (Denmark); Grumsen, Flemming Bjerg; Jellesen, Morten S.; Moller, Per; Ambat, Rajan [Section for Materials and Surface Technology, Department for Mechanical Engineering, Technical University of Denmark (Denmark)

    2011-05-15

    Graphical abstract: The electrochemical migration of tin in electronics forms dendritic structures, consisting of a metallic tin core, which is surrounded by oxide layers having various thickness. Display Omitted Research highlights: Electrochemical migration occurs if two conductors are connected by condensed moisture. Metallic ions are dissolved and grow in a dendritic structure that short circuit the electrodes. The dendrite consists of a metallic tin core with oxide layers of various thickness surrounding. Detailed microstructure of dendrites is investigated using electron microscopy. The dendrite microstructure is heterogeneous along the growth direction. - Abstract: The macro-, micro-, and nano-scale morphology and structure of tin dendrites, formed by electrochemical migration on a surface mount ceramic chip resistor having electrodes consisting of tin with small amounts of Pb ({approx}2 wt.%) was investigated by scanning electron microscopy and transmission electron microscopy including Energy dispersive X-ray spectroscopy and electron diffraction. The tin dendrites were formed under 5 or 12 V potential bias in 10 ppm by weight NaCl electrolyte as a micro-droplet on the resistor during electrochemical migration experiments. The dendrites formed were found to have heterogeneous microstructure along the growth direction, which is attributed to unstable growth conditions inside the micro-volume of electrolyte. Selected area electron diffraction showed that the dendrites are metallic tin having sections of single crystal orientation and lead containing intermetallic particles embedded in the structure. At certain areas, the dendrite structure was found to be surrounded by an oxide crust, which is believed to be due to unstable growth conditions during the dendrite formation. The oxide layer was found to be of nanocrystalline structure, which is expected to be formed by the dehydration of the hydrated oxide originally formed in solution ex-situ in ambient air.

  12. Study on the removal of iron impurities in methanesulfonic acid tin plating bath

    Science.gov (United States)

    Hou-li, LIU; Jian-Jun, CHEN; Hong-Liang, PAN

    2018-03-01

    This thesis investigated the the influence of sodium sulfite as reducing agent on the recovery rate of tin ion. The approach is that HZ016 type cation exchange resin was used to adsorb Sn2+ and Fe2+ in electroplated tin solution first. After adsorption, the resin was removed by sulfuric acid, which was added with NaOH to adjust pH value to form precipitation and separate tin. X-ray diffraction (XRD) and energy spectrum (EDS) method were used to analyze the composition of the precipitates adjusted by pH. The results show that when the mass ratio of resin to bath is 1:2, the adsorption efficiency of resin reaches 98.3% and 97.1% respectively, and the elution efficiency of tin and iron reaches 95.1% and 94% respectively when the mass ratio of resin to eluent sulfuric acid is 1:4. Sodium sulfite was added to increase the efficiency of tin recovery by 8.1%. EDS and XRD atlas showed that after pH regulation, the main composition of the filtration precipitation was the hydroxides of tin.

  13. Electrical Properties of Electrospun Sb-Doped Tin Oxide Nanofibers

    International Nuclear Information System (INIS)

    Leon-Brito, Neliza; Melendez, Anamaris; Ramos, Idalia; Pinto, Nicholas J; Santiago-Aviles, Jorge J

    2007-01-01

    Transparent and conducting tin oxide fibers are of considerable interest for solar energy conversion, sensors and in various electrode applications. Appropriate doping can further enhance the conductivity of the fibers without loosing optical transparency. Undoped and antimony-doped tin oxide fibers have been synthesized by our group in previous work using electrospinning and metallorganic decomposition techniques. The undoped tin oxide fibers were obtained using a mixture of pure tin oxide sol made from tin (IV) chloride : water : propanol : isopropanol at a molar ratio of 1:9:9:6, and a viscous solution made from poly(ethylene oxide) (PEO) and chloroform at a ratio of 200 mg PEO/10 mL chloroform. In this work, antimony doped fibers were obtained by adding a dopant solution of antimony trichloride and isopropanol at a ratio of 2.2812 g antimony trichloride/10 ml isopropanol to the original tin oxide precursor solution. The Sb concentration in the precursor solution is 1.5%. After deposition, the fibers were sintered 600deg. C in air for two hours. The electrical conductivity of single fibers measured at room temperature increases by up to three orders of magnitude when compared to undoped fibers prepared using the same method. The resistivity change as a function of the annealing temperature can be attributed to the thermally activated formation of a nearly stoichoimetric solid. The resistivity of the fibers changes monotonically with temperature from 714Ω-cm at 2 K to 0.1Ω-cm at 300 K. In the temperature range from 2 to 8 K the fibers have a positive magnetoresistance (MR) with the highest value of 155 % at 2 K and ±9 T. At temperatures of 10 and 12 K the sign of MR changes to negative values for low magnetic fields and positive for high magnetic fields. For higher temperatures (15 K and above) the MR becomes negative and its magnitude decreases with temperature

  14. Combined TiN- and TaN temperature compensated thin film resistors

    International Nuclear Information System (INIS)

    Malmros, Anna; Andersson, Kristoffer; Rorsman, Niklas

    2012-01-01

    The opposite signs of the temperature coefficient of resistance (TCR) of two thin film materials, titanium nitride (TiN) and tantalum nitride (TaN), were used to form temperature compensated thin film resistors (TFRs). The principle of designing temperature compensated TFRs by connecting TFRs of each compound in series or in parallel was demonstrated. TiN, TaN, and combined TiN and TaN TFRs for monolithic microwave integrated circuits (MMICs) were fabricated by reactive sputtering. DC characterization was performed over the temperature range of 30–200 °C. The TiN TFRs exhibited an increase in resistivity with temperature with TCRs of 540 and 750 ppm/°C. The TaN TFR on the other hand exhibited a negative TCR of − 470 ppm/°C. The shunted TFRs were fabricated by serial deposition of TiN and TaN to form a bilayer component. The TCRs of the series- and shunt configurations were experimentally reduced to − 60 and 100 ppm/°C, respectively. The concept of temperature compensation was used to build a Wheatstone bridge with an application in on-chip temperature sensing.

  15. Synthesis, Spectral Characterization and Antioxidant Activity of Tin(II-Morin Complex

    Directory of Open Access Journals (Sweden)

    Shahabuddin Memon

    2012-12-01

    Full Text Available The study focuses on the interaction between morin and Tin(II and the resulting complex was characterized through various analytical techniques by comparing it with morin. The complexation was confirmed at first by UV-Vis study, which shows that addition of Tin(II to morin may produce bathochromic shifts indicative of complex formation. IR spectral studies indicated that carbonyl has involved in coordination with Tin(II. Moreover, 1H-NMR studies validated that in conjunction with carbonyl, 3-OH of morin is more appropriate to be involved in complexation by replacement of its proton. Scavenging activities of morin and its Tin(II complex on DPPH• radical showed the inhibitory rates of 65% and 49%, respectively. In addition, the reducing capacity of morin was outstanding at 0.5 and 2.0 mg/ml concentrations relative to Tin(II complex. Overall, the study potentially shows the strong impact in order to design the anticancer drugs jointly from its cytotoxic potential and antioxidant activities, thereby selectively targeting the cancerous cells in result increasing their therapeutic index as well as extra advantages over other anticancer drugs.

  16. Colorimetric visualization of tin corrosion: A method for early stage corrosion detection on printed circuit boards

    DEFF Research Database (Denmark)

    Verdingovas, Vadimas; Jellesen, Morten Stendahl; Ambat, Rajan

    2017-01-01

    A majority of printed circuit board surfaces are covered with tin, therefore tin corrosion under humid conditions and movement of tin ions under the influence of an electric field plays an important role in the corrosion failure development. Tracking tin corrosion products spread on the printed c...

  17. Is orbital volume associated with eyeball and visual cortex volume in humans?

    Science.gov (United States)

    Pearce, Eiluned; Bridge, Holly

    2013-01-01

    In humans orbital volume increases linearly with absolute latitude. Scaling across mammals between visual system components suggests that these larger orbits should translate into larger eyes and visual cortices in high latitude humans. Larger eyes at high latitudes may be required to maintain adequate visual acuity and enhance visual sensitivity under lower light levels. To test the assumption that orbital volume can accurately index eyeball and visual cortex volumes specifically in humans. Structural Magnetic Resonance Imaging (MRI) techniques are employed to measure eye and orbit (n = 88) and brain and visual cortex (n = 99) volumes in living humans. Facial dimensions and foramen magnum area (a proxy for body mass) were also measured. A significant positive linear relationship was found between (i) orbital and eyeball volumes, (ii) eyeball and visual cortex grey matter volumes and (iii) different visual cortical areas, independently of overall brain volume. In humans the components of the visual system scale from orbit to eye to visual cortex volume independently of overall brain size. These findings indicate that orbit volume can index eye and visual cortex volume in humans, suggesting that larger high latitude orbits do translate into larger visual cortices.

  18. The tin mining and heavy mineral processing industry in the Kinta Valley, Perak, Malaysia

    International Nuclear Information System (INIS)

    Lee Swee Ching

    1994-01-01

    Overview of the tin mining and heavy mineral processing in the Kinta Valley, Perak, Malaysia was presented. Amang, a mixture composed of tin ore, sand, ilmenite, monazite, zircon, xenotime, struvite, etc , as a product from tin mining activities was discussed too in this paper

  19. Tuning the band gap in hybrid tin iodide perovskite semiconductors using structural templating.

    Science.gov (United States)

    Knutson, Jeremy L; Martin, James D; Mitzi, David B

    2005-06-27

    Structural distortions within the extensive family of organic/inorganic hybrid tin iodide perovskite semiconductors are correlated with their experimental exciton energies and calculated band gaps. The extent of the in- and out-of-plane angular distortion of the SnI4(2-) perovskite sheets is largely determined by the relative charge density and steric requirements of the organic cations. Variation of the in-plane Sn-I-Sn bond angle was demonstrated to have the greatest impact on the tuning of the band gap, and the equatorial Sn-I bond distances have a significant secondary influence. Extended Hückel tight-binding band calculations are employed to decipher the crystal orbital origins of the structural effects that fine-tune the band structure. The calculations suggest that it may be possible to tune the band gap by as much as 1 eV using the templating influence of the organic cation.

  20. 77 FR 34938 - Certain Tin Mill Products From Japan: Continuation of Antidumping Duty Order

    Science.gov (United States)

    2012-06-12

    ... DEPARTMENT OF COMMERCE International Trade Administration [A-588-854] Certain Tin Mill Products... duty order on certain tin mill products from Japan would likely lead to continuation or recurrence of...: Background On August 28, 2000, the Department published the antidumping duty order on certain tin mill...

  1. Relativistic band-structure calculations for CeTIn sub 5 (T=Ir and Co) and analysis of the energy bands by using tight-binding method

    CERN Document Server

    Maehira, T; Ueda, K; Hasegawa, A

    2003-01-01

    In order to investigate electronic properties of recently discovered heavy fermion superconductors CeTIn sub 5 (T=Ir and Co), we employ the relativistic linear augmented-plane-wave (RLAPW) method to clarify the energy band structures and Fermi surfaces of those materials. The obtained energy bands mainly due to the large hybridization between Ce 4 f and In 5 p states well reproduce the Fermi surfaces consistent with the de Haas-van Alphen experimental results. However, when we attempt to understand magnetism and superconductively in CeTIn sub 5 from the microscopic viewpoint, the energy bands obtained in the RLAPW method are too complicated to analyze the system by further including electron correlations. Thus, it is necessary to prepare a more simplified model, keeping correctly the essential characters of the energy bands obtained in the band-structure calculation. For the purpose, we construct a tight-binding model for CeTIn sub 5 by including f-f and p-p hoppings as well as f-p hybridization, which are ex...

  2. State of the Art Power-in Tube Niobium-Tin Superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Godeke, A.; Ouden, A. Den; Nijhuis, A.; ten Kate, H.H.J.

    2008-06-01

    Powder-in-Tube (PIT) processed Niobium-Tin wires are commercially manufactured for nearly three decades and have demonstrated a combination of very high current density (presently up to 2500 A mm{sup -2} non-Cu at 12 T and 4.2 K) with fine (35 {micro}m), well separated filaments. We review the developments that have led to the present state of the art PIT Niobium-Tin wires, discuss the wire manufacturing and A15 formation processes, and describe typical superconducting performance in relation to magnetic field and strain. We further highlight successful applications of PIT wires and conclude with an outlook on possibilities for further improvements in the performance of PIT Niobium-Tin wires.

  3. Interesterification of rapeseed oil catalyzed by tin octoate

    International Nuclear Information System (INIS)

    Galia, Alessandro; Centineo, Alessio; Saracco, Guido; Schiavo, Benedetto; Scialdone, Onofrio

    2014-01-01

    The interesterification of rapeseed oil was performed for the first time by using tin octoate as Lewis acid homogeneous catalysts and methyl or ethyl acetate as acyl acceptors in a batch reactor, within the temperature range 393–483 K. The yields in fatty acid ethyl esters (FAEE) and triacetin (TA) after 20 h of reaction time increased from 8% and 2%–to 61% and 22%, respectively, when the reaction temperature increased from 423 to 483 K. An optimum value of 40 for the acyl acceptor to oil molar ratio was found to be necessary to match good fatty acid alkyl ester yields with high enough reaction rate. The rate of generation of esters was significantly higher when methyl acetate was used as acyl acceptor instead of its ethyl homologue. The collected results suggest that tin octoate can be used as effective catalyst for the interesterification of rapeseed oil with methyl or ethyl acetate being highly soluble in the reaction system, less expensive than enzymes and allowing the operator to work under milder conditions than supercritical interesterification processes. - Highlights: • We study the interesterification of rapeseed oil catalyzed by tin(II) octoate. • Tin(II) octoate is an effective homogeneous catalyst at 483 K. • The acyl acceptor to oil molar ratio must be optimized. • Higher rate of reaction is obtained with methyl acetate as acyl acceptor

  4. Highly conducting and transparent sprayed indium tin oxide

    Energy Technology Data Exchange (ETDEWEB)

    Rami, M.; Benamar, E.; Messaoudi, C.; Sayah, D.; Ennaoui, A. (Faculte des Sciences, Rabat (Morocco). Lab. de Physique des Materiaux)

    1998-03-01

    Indium tin oxide (ITO) has a wide range of applications in solar cells (e.g. by controlling the resistivity, we can use low conductivity ITO as buffer layer and highly conducting ITO as front contact in thin films CuInS[sub 2] and CuInSe[sub 2] based solar cells) due to its wide band gap (sufficient to be transparent) in both visible and near infrared range, and high carrier concentrations with metallic conduction. A variety of deposition techniques such as reactive electron beam evaporation, DC magnetron sputtering, evaporation, reactive thermal deposition, and spray pyrolysis have been used for the preparation of undoped and tin doped indium oxide. This latter process which makes possible the preparation of large area coatings has attracted considerable attention due to its simplicity and large scale with low cost fabrication. It has been used here to deposit highly transparent and conducting films of tin doped indium oxide onto glass substrates. The electrical, optical and structural properties have been investigated as a function of various deposition parameters namely dopant concentrations, temperature and nature of substrates. X-ray diffraction patterns have shown that deposited films are polycrystalline without second phases and have preferred orientation [400]. INdium tin oxide layers with small resistivity value around 7.10[sup -5] [omega].cm and transmission coefficient in the visible and near IR range of about 85-90% have been easily obtained. (authors) 13 refs.

  5. XPS investigations of tribolayers formed on TiN and (Ti,Re)N coatings

    Energy Technology Data Exchange (ETDEWEB)

    Oktay, Serkan; Kahraman, Zafer; Urgen, Mustafa; Kazmanli, Kursat, E-mail: kursat@itu.edu.tr

    2015-02-15

    Graphical abstract: - Highlights: • The (Ti,Re)N coating (8 ± 1.9 at.% Re) consisted of TiN and ReNx (x > 1.33) phases. • TiO{sub 2} provided low friction coefficient to TiN coating at 150 °C. • Re addition to TiN drastically dropped the friction coefficients to 0.17–0.22. • Re{sub 2}O{sub 7} provided very low friction coefficient to (Ti,Re)N coating. • Re addition to TiN improved the wear behavior. - Abstract: TiN and (Ti,Re)N coatings were deposited on high-speed-steel substrates by a hybrid coating system composed of cathodic arc PVD and magnetron sputtering techniques. In order to keep rhenium content low (8 ± 1.9 at.%) in the coating, magnetron sputtering technique was utilized to evaporate rhenium. The (Ti,Re)N coating consisted of TiN and ReN{sub x} (x > 1.33) phases. The hardness of TiN and (Ti,Re)N were 31 GPa and 29 GPa ( ± 2 GPa), respectively. Tribological behaviors of the samples were tested against Al{sub 2}O{sub 3} balls at 21 °C (RT) and 150 °C (HT) by reciprocating wear technique. The tribolayers were analyzed by XPS technique. Friction coefficients of TiN were 0.56, 0.35 for 21 °C and 150 °C tests, respectively. Rhenium addition to TiN drastically dropped the friction coefficients to 0.22 and 0.17 for RT and HT samples. Rhenium addition also improved the wear resistance of the coating at both test temperatures. For TiN, main oxide component of the tribolayers was Ti{sub 2}O{sub 3} for RT tests and TiO{sub 2} for HT tests. The oxide layer formed on (Ti,Re)N were the mixture of TiO{sub 2}, Ti−O−N, ReO{sub 2} and Re{sub 2}O{sub 7} for both test temperatures. Re{sub 2}O{sub 7} provided very low friction coefficient to (Ti,Re)N. The findings are consistent with the crystal chemistry approach.

  6. SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Yang; Sivalingam, Kantharuban; Neese, Frank, E-mail: Frank.Neese@cec.mpg.de [Max Planck Institut für Chemische Energiekonversion, Stiftstr. 34-36, D-45470 Mülheim an der Ruhr (Germany); Valeev, Edward F. [Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24014 (United States)

    2016-03-07

    Multi-reference (MR) electronic structure methods, such as MR configuration interaction or MR perturbation theory, can provide reliable energies and properties for many molecular phenomena like bond breaking, excited states, transition states or magnetic properties of transition metal complexes and clusters. However, owing to their inherent complexity, most MR methods are still too computationally expensive for large systems. Therefore the development of more computationally attractive MR approaches is necessary to enable routine application for large-scale chemical systems. Among the state-of-the-art MR methods, second-order N-electron valence state perturbation theory (NEVPT2) is an efficient, size-consistent, and intruder-state-free method. However, there are still two important bottlenecks in practical applications of NEVPT2 to large systems: (a) the high computational cost of NEVPT2 for large molecules, even with moderate active spaces and (b) the prohibitive cost for treating large active spaces. In this work, we address problem (a) by developing a linear scaling “partially contracted” NEVPT2 method. This development uses the idea of domain-based local pair natural orbitals (DLPNOs) to form a highly efficient algorithm. As shown previously in the framework of single-reference methods, the DLPNO concept leads to an enormous reduction in computational effort while at the same time providing high accuracy (approaching 99.9% of the correlation energy), robustness, and black-box character. In the DLPNO approach, the virtual space is spanned by pair natural orbitals that are expanded in terms of projected atomic orbitals in large orbital domains, while the inactive space is spanned by localized orbitals. The active orbitals are left untouched. Our implementation features a highly efficient “electron pair prescreening” that skips the negligible inactive pairs. The surviving pairs are treated using the partially contracted NEVPT2 formalism. A detailed

  7. Reversible storage of lithium in a rambutan-like tin-carbon electrode.

    Science.gov (United States)

    Deng, Da; Lee, Jim Yang

    2009-01-01

    Fruity electrodes: A simple bottom-up self-assembly method was used to fabricate rambutan-like tin-carbon (Sn@C) nanoarchitecture (see scheme, green Sn) to improve the reversible storage of lithium in tin. The mechanism of the growth of the pear-like hairs is explored.

  8. Studies in group IV organometallic chemistry XXX. Synthesis of compounds containing tin---titanium and tin---zirconium bonds

    NARCIS (Netherlands)

    Creemers, H.M.J.C.; Verbeek, F.; Noltes, J.G.

    1968-01-01

    Starting from the tetrakis(diethylamino) derivatives of titanium and zirconium and pheyltin hydrides six intermetalic compounds contianing up to nine tin and titanium(or zirconium) atoms have been obtained by hydrostannolysis type reactions.

  9. Effect of pulsed voltage on electrochemical migration of tin in electronics

    DEFF Research Database (Denmark)

    Verdingovas, Vadimas; Jellesen, Morten Stendahl; Ambat, Rajan

    2015-01-01

    formation and increases the charge transferred between the electrodes over time. With increase of duty cycle, increases the anodic dissolution of tin, which was visualized using a tin ion indicator applied on the components prior to applying the voltage. The anodic dissolution of tin significantly...... respectively at 10 and 5 V, while the duty cycle and the pulse width were varied in the range of ms. The results showed that varying of pulse width at fixed duty cycle has a minor effect under investigated conditions, whereas increasing duty cycle significantly reduces the time to short due to dendrite...

  10. Hydrothermal synthesis of tungsten doped tin dioxide nanocrystals

    Science.gov (United States)

    Zhou, Cailong; Li, Yufeng; Chen, Yiwen; Lin, Jing

    2018-01-01

    Tungsten doped tin dioxide (WTO) nanocrystals were synthesized through a one-step hydrothermal method. The structure, composition and morphology of WTO nanocrystals were characterized by x-ray diffraction, x-ray photoelectron spectroscopy, energy dispersive x-ray spectroscopy, UV-vis diffuse reflectance spectra, zeta potential analysis and high-resolution transmission electron microscopy. Results show that the as-prepared WTO nanocrystals were rutile-type structure with the size near 13 nm. Compared with the undoped tin dioxide nanocrystals, the WTO nanocrystals possessed better dispersity in ethanol phase and formed transparent sol.

  11. Thermal interaction for molten tin dropped into water

    Energy Technology Data Exchange (ETDEWEB)

    Arakeri, V.H.; Catton, I.; Kastenberg, W.E.; Plesset, M.S.

    1978-03-01

    Multiflash photography with extremely short duration exposure times per flash was used to observe the interaction of molten tin dropped into a water bath. Detailed photographic evidence is presented which demonstrates that transition, or nucleate boiling, is a possible triggering mechanism for vapor explosions. It was also found that the thermal constraints required to produce vapor explosions could be relaxed by introducing a stable thermal stratification within the coolant. In the present work, the threshold value of the initial tin temperature required for vapor explosion was reduced from about 500 to 343/sup 0/C.

  12. Investigation of Surface Phenomena in Shocked Tin in Converging Geometry

    Energy Technology Data Exchange (ETDEWEB)

    Rousculp, Christopher L. [Los Alamos National Laboratory; Oro, David Michael [Los Alamos National Laboratory; Griego, Jeffrey Randall [Los Alamos National Laboratory; Turchi, Peter John [Los Alamos National Laboratory; Reinovsky, Robert Emil [Los Alamos National Laboratory; Bradley, Joseph Thomas [Los Alamos National Laboratory; Cheng, Baolian [Los Alamos National Laboratory; Freeman, Matthew Stouten [Los Alamos National Laboratory; Patten, Austin Randall [Los Alamos National Laboratory

    2016-03-21

    There is great interest in the behavior of the free surface of tin under shock loading. While it is known that meso-scale surface imperfections can seed the Richtmyer- Meshkov Instability (RMI) for a surface that is melted on release, much less is known about a tin surface that is solid, but plastically deforming. Here material properties such as shear and yield strength come into play especially in converging geometry. Previous experiments have been driven by direct contact HE. Usually a thin, flat target coupon is fielded with various single-mode, sinusoidal, machined, profiles on the free surface. The free surface is adjacent to either vacuum or an inert receiver gas. Most of these previous driver/target configurations have been nominal planer geometry. With modern HE it has been straightforward to shock tin into melt on release. However it has been challenging to achieve a low enough pressure for solid state on release. Here we propose to extend the existing base of knowledge to include the behavior of the free surface of tin in cylindrical converging geometry. By shock loading a cylindrical tin shell with a magnetically driven cylindrical liner impactor, the free surface evolution can be diagnosed with proton radiography. With the PHELIX capacitor bank, the drive can easily be varied to span the pressure range to achieve solid, mixed, and liquid states on release. A conceptual cylindrical liner and target is shown in Figure 1.

  13. Distance-based relative orbital elements determination for formation flying system

    Science.gov (United States)

    He, Yanchao; Xu, Ming; Chen, Xi

    2016-01-01

    The present paper deals with determination of relative orbital elements based only on distance between satellites in the formation flying system, which has potential application in engineering, especially suited for rapid orbit determination required missions. A geometric simplification is performed to reduce the formation configuration in three-dimensional space to a plane. Then the equivalent actual configuration deviating from its nominal design is introduced to derive a group of autonomous linear equations on the mapping between the relative orbital elements differences and distance errors. The primary linear equations-based algorithm is initially proposed to conduct the rapid and precise determination of the relative orbital elements without the complex computation, which is further improved by least-squares method with more distance measurements taken into consideration. Numerical simulations and comparisons with traditional approaches are presented to validate the effectiveness of the proposed methods. To assess the performance of the two proposed algorithms, accuracy validation and Monte Carlo simulations are implemented in the presence of noises of distance measurements and the leader's absolute orbital elements. It is demonstrated that the relative orbital elements determination accuracy of two approaches reaches more than 90% and even close to the actual values for the least-squares improved one. The proposed approaches can be alternates for relative orbit determination without assistance of additional facilities in engineering for their fairly high efficiency with accuracy and autonomy.

  14. Orbital motion in pre-main sequence binaries

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, G. H. [The CHARA Array of Georgia State University, Mount Wilson Observatory, Mount Wilson, CA 91023 (United States); Prato, L. [Lowell Observatory, 1400 West Mars Hill Road, Flagstaff, AZ 86001 (United States); Simon, M. [Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY 11794 (United States); Patience, J., E-mail: schaefer@chara-array.org [Astrophysics Group, School of Physics, University of Exeter, Exeter, EX4 4QL (United Kingdom)

    2014-06-01

    We present results from our ongoing program to map the visual orbits of pre-main sequence (PMS) binaries in the Taurus star forming region using adaptive optics imaging at the Keck Observatory. We combine our results with measurements reported in the literature to analyze the orbital motion for each binary. We present preliminary orbits for DF Tau, T Tau S, ZZ Tau, and the Pleiades binary HBC 351. Seven additional binaries show curvature in their relative motion. Currently, we can place lower limits on the orbital periods for these systems; full solutions will be possible with more orbital coverage. Five other binaries show motion that is indistinguishable from linear motion. We suspect that these systems are bound and might show curvature with additional measurements in the future. The observations reported herein lay critical groundwork toward the goal of measuring precise masses for low-mass PMS stars.

  15. Recovery Of Valuable Metals In Tin-Based Anodic Slimes By Carbothermic Reaction

    OpenAIRE

    Han Chulwoong; Kim Young-Min; Son Seong Ho; Choi Hanshin; Kim Tae Bum; Kim Yong Hwan

    2015-01-01

    This study investigated the recovery of anodic slimes by carbothermic reaction in the temperature range of 973~1,273K and amount of carbon as a function of time. Tin anodic slime samples were collected from the bottom of the electrolytic cells during the electro-refining of tin. The anodic slimes are consisted of high concentrated tin, silver, copper and lead oxides. The kinetics of reduction were determined by means of the weight-loss measurement technique. In order to understand in detail o...

  16. LINEAR AND NONLINEAR CORRECTIONS IN THE RHIC INTERACTION REGIONS

    International Nuclear Information System (INIS)

    PILAT, F.; CAMERON, P.; PTITSYN, V.; KOUTCHOUK, J.P.

    2002-01-01

    A method has been developed to measure operationally the linear and non-linear effects of the interaction region triplets, that gives access to the multipole content through the action kick, by applying closed orbit bumps and analyzing tune and orbit shifts. This technique has been extensively tested and used during the RHIC operations in 2001. Measurements were taken at 3 different interaction regions and for different focusing at the interaction point. Non-linear effects up to the dodecapole have been measured as well as the effects of linear, sextupolar and octupolar corrections. An analysis package for the data processing has been developed that through a precise fit of the experimental tune shift data (measured by a phase lock loop technique to better than 10 -5 resolution) determines the multipole content of an IR triplet

  17. Isomorphism of Intransitive Linear Lie Equations

    Directory of Open Access Journals (Sweden)

    Jose Miguel Martins Veloso

    2009-11-01

    Full Text Available We show that formal isomorphism of intransitive linear Lie equations along transversal to the orbits can be extended to neighborhoods of these transversal. In analytic cases, the word formal is dropped from theorems. Also, we associate an intransitive Lie algebra with each intransitive linear Lie equation, and from the intransitive Lie algebra we recover the linear Lie equation, unless of formal isomorphism. The intransitive Lie algebra gives the structure functions introduced by É. Cartan.

  18. Weak Localization and Antilocalization in Topological Materials with Impurity Spin-Orbit Interactions

    Science.gov (United States)

    Hankiewicz, Ewelina M.; Culcer, Dimitrie

    2017-01-01

    Topological materials have attracted considerable experimental and theoretical attention. They exhibit strong spin-orbit coupling both in the band structure (intrinsic) and in the impurity potentials (extrinsic), although the latter is often neglected. In this work, we discuss weak localization and antilocalization of massless Dirac fermions in topological insulators and massive Dirac fermions in Weyl semimetal thin films, taking into account both intrinsic and extrinsic spin-orbit interactions. The physics is governed by the complex interplay of the chiral spin texture, quasiparticle mass, and scalar and spin-orbit scattering. We demonstrate that terms linear in the extrinsic spin-orbit scattering are generally present in the Bloch and momentum relaxation times in all topological materials, and the correction to the diffusion constant is linear in the strength of the extrinsic spin-orbit. In topological insulators, which have zero quasiparticle mass, the terms linear in the impurity spin-orbit coupling lead to an observable density dependence in the weak antilocalization correction. They produce substantial qualitative modifications to the magnetoconductivity, differing greatly from the conventional Hikami-Larkin-Nagaoka formula traditionally used in experimental fits, which predicts a crossover from weak localization to antilocalization as a function of the extrinsic spin-orbit strength. In contrast, our analysis reveals that topological insulators always exhibit weak antilocalization. In Weyl semimetal thin films having intermediate to large values of the quasiparticle mass, we show that extrinsic spin-orbit scattering strongly affects the boundary of the weak localization to antilocalization transition. We produce a complete phase diagram for this transition as a function of the mass and spin-orbit scattering strength. Throughout the paper, we discuss implications for experimental work, and, at the end, we provide a brief comparison with transition metal

  19. NMR as a tool for kinetic studies: application to the assessment of organo tin reactivity

    Energy Technology Data Exchange (ETDEWEB)

    Fouquet, E.; Roulet, T. [Bordeaux-1 Univ., 33 - Talence (France); Pianet, I. [Bordeaux-1 Univ., 33 -Talence (France) CNRS, Centre d`Etudes Structurales et d`Analyse des Molecules Organiques; Willem, R. [Brussels University (VUB), Brussels (Belgium)

    1998-02-01

    There is a growing interest for the research of an answer to the environmental problems related to the industrial use of tetra organo tins. An interesting alternative would be to develop the chemistry of mono organo tins because of their lower toxicity and of the easy removal of ``inorganic`` tin side products. In this work, halogen exchange rates are measured for various mono organo tins with NMR techniques (EXSY spectra and 1 D {sup 119} Sn NMR), and an exchange mechanism is proposed. A correlation between kinetic data and the reactivity of the mono organo tins is then exemplified with radical allylic transfer and palladium catalyzed coupling reactions. (authors) 14 refs.

  20. Occupational irritant contact folliculitis associated with triphenyl tin fluoride (TPTF) exposure

    DEFF Research Database (Denmark)

    Andersen, Klaus Ejner; Petri, M

    1982-01-01

    Triphenyl tin fluoride (TPTF) is a bioactive organo-tin compound used in concentrations 2-12% as anti-foulants in boat paints. The chemical is moderately toxic to the skin. An occupational irritant contact folliculitis from TPTF in a marine paint plant worker is described. Contact allergy...

  1. Numerical Simulation of Wave Propagation and Phase Transition of Tin under Shock-Wave Loading

    International Nuclear Information System (INIS)

    Hai-Feng, Song; Hai-Feng, Liu; Guang-Cai, Zhang; Yan-Hong, Zhao

    2009-01-01

    We undertake a numerical simulation of shock experiments on tin reported in the literature, by using a multiphase equation of state (MEOS) and a multiphase Steinberg Guinan (MSG) constitutive model for tin in the β, γ and liquid phases. In the MSG model, the Bauschinger effect is considered to better describe the unloading behavior. The phase diagram and Hugoniot of tin are calculated by MEOS, and they agree well with the experimental data. Combined with the MEOS and MSG models, hydrodynamic computer simulations are successful in reproducing the measured velocity profile of the shock wave experiment. Moreover, by analyzing the mass fraction contour as well as stress and temperature profiles of each phase for tin, we further discuss the complex behavior of tin under shock-wave loading. (condensed matter: structure, mechanical and thermal properties)

  2. Effects on stress rupture life and tensile strength of tin additions to Inconel 718

    Science.gov (United States)

    Dreshfield, R. L.; Johnson, W.

    1982-01-01

    Because Inconel 718 represents a major use of columbium and a large potential source of columbium for aerospace alloys could be that of columbium derived from tin slags, the effects of tin additions to Inconel 718 at levels which might be typical of or exceed those anticipated if tin slag derived columbium were used as a melting stock were investigated. Tin was added to 15 pound Inconel 718 heats at levels varying from none added to approximately 10,000 ppm (1 wt%). Limited 1200 F stress rupture testing was performed at stresses from 68,000 to 115,000 psi and a few tensile tests were performed at room temperature, 800 and 1200 F. Additions of tin in excess of 800 ppm were detrimental to ductility and stress rupture life.

  3. Validation of Galileo orbits using SLR with a focus on satellites launched into incorrect orbital planes

    Science.gov (United States)

    Sośnica, Krzysztof; Prange, Lars; Kaźmierski, Kamil; Bury, Grzegorz; Drożdżewski, Mateusz; Zajdel, Radosław; Hadas, Tomasz

    2018-02-01

    The space segment of the European Global Navigation Satellite System (GNSS) Galileo consists of In-Orbit Validation (IOV) and Full Operational Capability (FOC) spacecraft. The first pair of FOC satellites was launched into an incorrect, highly eccentric orbital plane with a lower than nominal inclination angle. All Galileo satellites are equipped with satellite laser ranging (SLR) retroreflectors which allow, for example, for the assessment of the orbit quality or for the SLR-GNSS co-location in space. The number of SLR observations to Galileo satellites has been continuously increasing thanks to a series of intensive campaigns devoted to SLR tracking of GNSS satellites initiated by the International Laser Ranging Service. This paper assesses systematic effects and quality of Galileo orbits using SLR data with a main focus on Galileo satellites launched into incorrect orbits. We compare the SLR observations with respect to microwave-based Galileo orbits generated by the Center for Orbit Determination in Europe (CODE) in the framework of the International GNSS Service Multi-GNSS Experiment for the period 2014.0-2016.5. We analyze the SLR signature effect, which is characterized by the dependency of SLR residuals with respect to various incidence angles of laser beams for stations equipped with single-photon and multi-photon detectors. Surprisingly, the CODE orbit quality of satellites in the incorrect orbital planes is not worse than that of nominal FOC and IOV orbits. The RMS of SLR residuals is even lower by 5.0 and 1.5 mm for satellites in the incorrect orbital planes than for FOC and IOV satellites, respectively. The mean SLR offsets equal -44.9, -35.0, and -22.4 mm for IOV, FOC, and satellites in the incorrect orbital plane. Finally, we found that the empirical orbit models, which were originally designed for precise orbit determination of GNSS satellites in circular orbits, provide fully appropriate results also for highly eccentric orbits with variable linear

  4. Dissolution of copper, tin, and iron from sintered tungsten-bronze spheres in a simulated avian gizzard, and an assessment of their potential toxicity to birds

    International Nuclear Information System (INIS)

    Thomas, Vernon G.; McGill, Ian R.

    2008-01-01

    The rates of dissolution of copper, tin, and iron from sintered tungsten-bronze spheres (51.1%W, 44.4%Cu, 3.9%Sn, 0.6%Fe, by mass) were measured in an in vitro simulated avian gizzard at pH 2.0, and 42C. Most of the spheres had disintegrated completely to a fine powder by day 14. Dissolution of copper, tin, and iron from the spheres was linear over time; all r > 0.974; all P < 0.001. The mean rate of release of copper, tin, and iron was 30.4 mg, 2.74 mg, and 0.38 mg per g tungsten-bronze per day, respectively. These rates of metal release were compared to those in published studies to determine whether the simultaneous ingestion of eight spheres of 3.48 mm diameter would pose a toxic risk to birds. The potential absorption rates of iron and tin (0.54 mg Fe/day, and 3.89 mg Sn/day) from eight tungsten-bronze spheres of total mass 1.42 g would not prove toxic, based on empirical studies of tin and iron ingestion in waterfowl. The release of 43.17 mg copper/day from eight tungsten-bronze spheres, while exceeding the daily copper requirements of domesticated birds, is far below the levels of copper known to cause copper toxicosis in birds. We conclude that sintered tungsten-bronze material made into gunshot, fishing weights, or wheel balance weights, would not pose a toxic risk to wild birds when ingested

  5. Formation of Ti-N graded bioceramic layer by DC hollow-cathode plasma nitriding

    Institute of Scientific and Technical Information of China (English)

    ZHENG Chuan-lin

    2004-01-01

    Ti-N graded ceramic layer was formed on titanium by using DC hollow-cathode plasma nitriding technique. The structure of Ti-N layer was analyzed using X-ray diffractometry(XRD) with Cu Kα radiation, and the microhardness( HV0.1) was measured from the surface to inner along the cross section of Ti-N layer. The results indicate that the Ti-N graded layer is composed of ε-Ti2 N, δ-TiN and α-Ti(N) phases. Mechanism discussion shows that hollow-cathode discharge can intensify gas ionization, increase current density and enhance the nitriding potential, which directly increases the thickness of the diffusion coatings compared with traditional nitriding methods.

  6. Metalorganic atomic layer deposition of TiN thin films using TDMAT and NH3

    International Nuclear Information System (INIS)

    Kim, Hyo Kyeom; Kim, Ju Youn; Park, Jin Yong; Kim, Yang Do; Kim, Young Do; Jeon, Hyeong Tag; Kim, Won Mok

    2002-01-01

    TiN films were deposited by using the metalorganic atomic layer deposition (MOALD) method using tetrakis-dimethyl-amino-titanium (TDMAT) as the titanium precursor and ammonia (NH 3 ) as the reactant gas. Two saturated TiN film growth regions were observed in the temperature ranges from 175 and 190 .deg. C and from 200 and 210 .deg. C. TiN films deposited by the MOALD technique showed relatively lower carbon content than films deposited by metalorganic chemical vapor deposition (MOCVD) method. TiN films deposited at around 200 .deg. C under standard conditions showed the resistivity values as low as 500 μΩ-cm, which is about one order lower than the values for TiN films deposited by MOCVD using TDMAT or TDMAT with NH 3 . Also, the carbon incorporation and the resistivity were further decreased with increasing Ar purge time and flow rate. TiN films deposited at temperature below 300 .deg. C showed amorphous characteristics. TiN film deposited on contact holes, about 0.4-μm wide and 0.8-μm deep, by using the MOALD method showed excellent conformal deposition with almost 100% step coverage. This study demonstrates that the processing parameters need to be carefully controlled to optimize the film properties that the processing parameters need to be carefully controlled to optimize the film properties when using the ALD technique and that TiN films deposited by using the MOALD method exhibited excellent film properties compared to those of films deposited by using other CVD methods

  7. Stability of tinned food from pigs radiated with various doses of ionizing rays

    International Nuclear Information System (INIS)

    Kossakowska, A.; Kossakowski, S.; Widenska, T.; Wojton, B.

    1978-01-01

    The examinations were carried out on 347 tinned food made of meat from pigs exposed to radiation of 300 and 600 R. The animals were irradiated with 60 Co. The pigs irradiated with 300 R were slaughtered after 7 and 14 days, and these with 600 R after 7 and 12 days; the control animals were killed after 14 days. Post-slaughter visual and microbiological examinations were performed by seeding the samples of the blood, muscles, lymphnodes and internal organs for the presence of Salmonella sp. Meat was pickled and heated up to 67-68 0 C (in the center of tinned food). The lowest stability showed the tinned food made of pigs irradiated with 600 R and killed after 12 days. Chemical examinations of the tinned food stored at 6 0 C revealed the prevalence of oxydative processes in fat over hydrolitic ones. The difference in acid number between tinned food under test and controls appeared after 6 months. Peroxides occurred in the control after 6 months and in these under examination after 3 months, and the level was 4.00-5.80 apart from the tins made of meat of pigs irradiated with 300 R and slaughtered after 7 days. (author)

  8. Understanding the gas sensing properties of polypyrrole coated tin oxide nanofiber mats

    Science.gov (United States)

    Bagchi, Sudeshna; Ghanshyam, C.

    2017-03-01

    Tin oxide-polypyrrole composites have been widely studied for their enhanced sensing performance towards ammonia vapours, but further investigations are required for an understanding of the interaction mechanisms with different target analytes. In this work, polypyrrole coated tin oxide fibers have been synthesized using a two-step approach of electrospinning and vapour phase polymerization for the sensing of ammonia, ethanol, methanol, 2-propanol and acetone vapours. The resistance variation in the presence of these vapours of different nature and concentration is investigated for the determination of sensor response. A decrease in resistance occurred on interaction of tin oxide-polypyrrole with ammonia, as opposed to previous reported works. Partial reduction of polypyrrole due to interfacial interaction with tin oxide has been proposed to explain this behavior. High sensitivity of 7.45 is achieved for 1 ppm ammonia concentration. Furthermore, the sensor exhibited high sensitivity and a faster response towards ethanol vapours although methanol has the highest electron donating capability. The catalytic mechanism has been discussed to explain this interesting behavior. The results reveal that interaction between tin oxide and polypyrrole is crucial to control the predominant sensing mechanism.

  9. Heavy metal content of tinned soup as a function of storage time

    Energy Technology Data Exchange (ETDEWEB)

    Stelte, W.

    1983-01-01

    Samples were taken from soups prior to their preservation in tins. None of the samples showed an increased content of the investigated heavy metals lead and mercury exceeding the amounts normally found in food. Thus it may be considered as certain that the heavy metal content of soups is not adversely affected by technical processes during their preparation. Increase in heavy metal content by metallic residues from tin manufacture is slight and mainly due to tin, whose content is on average increased in the soup by 0.4 mg/kg. For lead the influence is smaller and for mercury it is not significantly demonstrable. The metallic residues from tin manufacture are an irrelevant quantity in terms of nutrition physiology. Within the investigated 4-year storage-period the lead content shows a tendency to increase towards saturation. Cadmium remains essentially constant, the content of mercury has a downward tendency and reaches zero after 2 to 4 years. Consumers' exposure is in a range known for the consumption of other foodstuffs as well. The use of varnished tins to package industrial soups involves no exposure of consumers to heavy metals justifying any apprehension even after prolonged storage.

  10. Broad spectral response photodetector based on individual tin-doped CdS nanowire

    Directory of Open Access Journals (Sweden)

    Weichang Zhou

    2014-12-01

    Full Text Available High purity and tin-doped 1D CdS micro/nano-structures were synthesized by a convenient thermal evaporation method. SEM, EDS, XRD and TEM were used to examine the morphology, composition, phase structure and crystallinity of as-prepared samples. Raman spectrum was used to confirm tin doped into CdS effectively. The effect of impurity on the photoresponse properties of photodetectors made from these as-prepared pure and tin-doped CdS micro/nano-structures under excitation of light with different wavelength was investigated. Various photoconductive parameters such as responsivity, external quantum efficiency, response time and stability were analyzed to evaluate the advantage of doped nanowires and the feasibility for photodetector application. Comparison with pure CdS nanobelt, the tin-doped CdS nanowires response to broader spectral range while keep the excellect photoconductive parameters. Both trapped state induced by tin impurity and optical whispering gallery mode microcavity effect in the doped CdS nanowires contribute to the broader spectral response. The micro-photoluminescence was used to confirm the whispering gallery mode effect and deep trapped state in the doped CdS nanowires.

  11. Demonstration of high-performance p-type tin oxide thin-film transistors using argon-plasma surface treatments

    Science.gov (United States)

    Bae, Sang-Dae; Kwon, Soo-Hun; Jeong, Hwan-Seok; Kwon, Hyuck-In

    2017-07-01

    In this work, we investigated the effects of low-temperature argon (Ar)-plasma surface treatments on the physical and chemical structures of p-type tin oxide thin-films and the electrical performance of p-type tin oxide thin-film transistors (TFTs). From the x-ray photoelectron spectroscopy measurement, we found that SnO was the dominant phase in the deposited tin oxide thin-film, and the Ar-plasma treatment partially transformed the tin oxide phase from SnO to SnO2 by oxidation. The resistivity of the tin oxide thin-film increased with the plasma-treatment time because of the reduced hole concentration. In addition, the root-mean-square roughness of the tin oxide thin-film decreased as the plasma-treatment time increased. The p-type oxide TFT with an Ar-plasma-treated tin oxide thin-film exhibited excellent electrical performance with a high current on-off ratio (5.2 × 106) and a low off-current (1.2 × 10-12 A), which demonstrates that the low-temperature Ar-plasma treatment is a simple and effective method for improving the electrical performance of p-type tin oxide TFTs.

  12. 77 FR 32998 - Tin- and Chromium-Coated Steel Sheet From Japan

    Science.gov (United States)

    2012-06-04

    ...-Coated Steel Sheet From Japan Determination On the basis of the record \\1\\ developed in the subject five... order on tin- and chromium-coated steel sheet from Japan would be likely to lead to continuation or... USITC Publication 4325 (May 2012), entitled Tin- and Chromium-Coated Steel Sheet from Japan...

  13. Characterization of tin films synthesized from ethaline deep eutectic solvent

    International Nuclear Information System (INIS)

    Ghosh, Swatilekha; Roy, Sudipta

    2014-01-01

    Highlights: • Tin deposition was achieved by galvanostatic method on the basic substrates from ethaline deep eutectic solvent without use of any additives. • The current potential behaviour of tin system changes with increase in concentration of hydrated tin chloride in ethaline. • The deposition rate in ethaline display three times lower value compared to aqueous electrolytes. • Fine grained crystals of 62 ± 10 nm were obtained for tin deposits. • The deposition process is economical and can be adapted for industrial applications. - Abstract: Tin (Sn) films were electrodeposited by galvanostatic method from ethaline deep eutectic solvent (DES), without any additives. The effect of various deposition parameters on the microstructure was studied. With increase in metal salt concentration from 0.01 to 0.1 M, changes in current–potential behaviour were observed in the polarization scans. This might be due to the existence of [SnCl 3 ] − , [Sn 2 Cl 5 ] − complexes in ethaline DES. Smooth and homogeneous deposits were obtained on a steel substrate surface by applying current density of 1.57 × 10 −3 A/cm 2 at 25 °C. Under these conditions the deposition rate was found to be 0.1 ± 10% μm/min and current efficiency was obtained as 84 ± 3%. XRD analysis of the deposit confirmed the polycrystalline tetragonal structure with mostly (2 0 0) orientation having a crystallite size about 62 ± 16% nm along with an internal strain of 0.0031 ± 22%. The present deposition method is simple, economical and can be adapted for industrial applications

  14. Tin-Silver Alloys for Flip-Chip Bonding Studied with a Rotating Cylinder Electrode

    DEFF Research Database (Denmark)

    Tang, Peter Torben; Pedersen, E.H.; Bech-Nielsen, G.

    1999-01-01

    Electrodeposition of solder for flip-chip bonding is studied in the form of a pyrophosphate/iodide tin-silver alloy bath. The objective is to obtain a uniform alloy composition, with 3.8 At.% silver, over a larger area. This specific alloy will provide an eutectic solder melting at 221°C (or 10°C...... photoresist, have shown a stable and promising alternative to pure tin and tin-lead alloys for flip-chip bonding applications....

  15. Hydrodynamics of Normal Atomic Gases with Spin-orbit Coupling.

    Science.gov (United States)

    Hou, Yan-Hua; Yu, Zhenhua

    2015-10-20

    Successful realization of spin-orbit coupling in atomic gases by the NIST scheme opens the prospect of studying the effects of spin-orbit coupling on many-body physics in an unprecedentedly controllable way. Here we derive the linearized hydrodynamic equations for the normal atomic gases of the spin-orbit coupling by the NIST scheme with zero detuning. We show that the hydrodynamics of the system crucially depends on the momentum susceptibilities which can be modified by the spin-orbit coupling. We reveal the effects of the spin-orbit coupling on the sound velocities and the dipole mode frequency of the gases by applying our formalism to the ideal Fermi gas. We also discuss the generalization of our results to other situations.

  16. Synthesis of antimony-doped tin oxide (ATO) nanoparticles by the nitrate-citrate combustion method

    International Nuclear Information System (INIS)

    Zhang Jianrong; Gao Lian

    2004-01-01

    Antimony-doped tin oxide (ATO) nanoparticles having rutile structure have been synthesized by the combustion method using citric acid (CA) as fuel and nitrate as an oxidant, the metal sources were granulated tin and Sb 2 O 3 . The influence of citric acid (fuel) to metal ratio on the average crystallite size, specific surface area and morphology of the nanoparticles has been investigated. X-ray diffraction showed the tin ions were reduced to elemental tin during combustion reaction. The average ATO crystallite size increased with the increase of citric acid (fuel). Powder morphology and the comparison of crystallite size and grain size shows that the degree of agglomeration of the powder decreased with an increase of the ratio. The highest specific surface area was 37.5 m 2 /g when the citric acid to tin ratio was about 6

  17. Thermal interaction for molten tin dropped into water

    International Nuclear Information System (INIS)

    Arakeri, V.H.; Catton, I.; Kastenberg, W.E.; Plesset, M.S.

    1978-01-01

    Multiflash photography with extremely short duration exposure times per flash has been used to observe the interaction of molten tin dropped into a water bath. Detailed photographic evidence is presented which demonstrates that transition, or nucleate boiling, is a possible triggering mechanism for vapour explosions. It was also found that the thermal constraints required to produce vapour explosions could be relaxed by introducing a stable thermal stratification within the coolant. In the present work, the threshold value of the initial tin temperature required for vapour explosion was reduced from about 500 to 343 0 C. (author)

  18. 77 FR 5767 - Certain Tin Mill Products From Japan: Rescission of Antidumping Duty Administrative Review

    Science.gov (United States)

    2012-02-06

    ... DEPARTMENT OF COMMERCE International Trade Administration [A-588-854] Certain Tin Mill Products... duty order covering certain tin mill products from Japan. The period of review is August 1, 2010... parties to request an administrative review of the antidumping duty order on certain tin mill products...

  19. 76 FR 14902 - Certain Tin Mill Products From Japan: Rescission of Antidumping Duty Administrative Review

    Science.gov (United States)

    2011-03-18

    ... DEPARTMENT OF COMMERCE International Trade Administration [A-588-854] Certain Tin Mill Products... duty order covering certain tin mill products from Japan. The period of review is August 1, 2009... parties to request an administrative review of the antidumping duty order on certain tin mill products...

  20. Corrosion Behavior of Carbon Steel in Concrete Material Composed of Tin Slag Waste in Aqueous Chloride Solution

    Science.gov (United States)

    Rustandi, Andi; Cahyadi, Agung; Taruli Siallagan, Sonia; Wafa' Nawawi, Fuad; Pratesa, Yudha

    2018-01-01

    Tin slag is a byproduct of tin ore smelting process which is rarely utilized. The main purpose of this work is to investigate the use of tin slag for concrete cement material application compared to the industrial Ordinary Portland Cement (OPC). Tin slag composition was characterized by XRD and XRF analysis. The characterization results showed the similar chemical composition of tin slag and OPC. It also revealed the semi crystalline structure of tin slag sample. Several electrochemical tests were performed to evaluate corrosion behavior of tin slag, OPC and various mixed composition of both materials and the addition of CaO. The corrosion behavior of OPC and tin slag were evaluated by using Cyclic Polarization, Electrochemical Impedance Spectroscopy (EIS) and Electrochemical Frequency Modulation (EFM) methods. Aqueous sodium chloride (NaCl) solution with 3.5% w.t concentration which similar to seawater was used as the electrolyte in this work. The steel specimen used as the reinforce bar (rebar) material of the concrete was carbon steel AISI 1045. The rebar was embedded in the concrete cement which composed of OPC and the various composition of tin slag including slag without addition of CaO and slag mixed with addition of 50 % CaO. The electrochemical tests results revealed that tin slag affected its corrosion behavior which becoming more active and increasing the corrosion rate as well as decreasing the electrochemical impedance.

  1. Discovery of the calcium, indium, tin, and platinum isotopes

    International Nuclear Information System (INIS)

    Amos, S.; Gross, J.L.; Thoennessen, M.

    2011-01-01

    Currently, twenty-four calcium, thirty-eight indium, thirty-eight tin, and thirty-nine platinum isotopes have been observed and the discovery of these isotopes is discussed here. For each isotope a brief synopsis of the first refereed publication, including the production and identification method, is presented. - Highlights: Documentation of the discovery of all calcium, indium, tin and platinum isotopes. → Summary of author, journal, year, place and country of discovery for each isotope. → Brief description of discovery history of each isotope.

  2. Wear of tin coating and Al-Si alloy substrate against carburized steel under mixed lubrication

    Science.gov (United States)

    Wang, Q.; Cheng, H. S.; Fine, M. E.

    1994-04-01

    Tin coatings on Al-Si alloys are widely used in the automotive industries. The soft tin coating and the harder substrate alloy form a tribological system with the advantages of low friction and reasonably high load-bearing capacity. Wear tests of tin coated Al-Si Z332 alloy in conformal contact against carburized 1016 steel have been carried out under mixed lubrications with SAE 10W30 oil to study the wear mechanisms. Two major wear mechanisms, uniform wear of the tin coating due to micro-plowing and spall pitting related to the substrate are found to contribute to the bearing material loss when the fluid lubrication film is relatively thick (Lambda about 1.6). Under conditions of thinner films (Lambda approximately = 0.8), some local coating debonding occurs. The pitting and local coating debounding are closely related to fracture in the substrate. The bonding between silicon and tin seems to be weaker than between aluminum and tin. During wear, oxidation occurs.

  3. Satellite orbits in Levi-Civita space

    Science.gov (United States)

    Humi, Mayer

    2018-03-01

    In this paper we consider satellite orbits in central force field with quadratic drag using two formalisms. The first using polar coordinates in which the satellite angular momentum plays a dominant role. The second is in Levi-Civita coordinates in which the energy plays a central role. We then merge these two formalisms by introducing polar coordinates in Levi-Civita space and derive a new equation for satellite orbits which unifies these two paradigms. In this equation energy and angular momentum appear on equal footing and thus characterize the orbit by its two invariants. Using this formalism we show that equatorial orbits around oblate spheroids can be expressed analytically in terms of Elliptic functions. In the second part of the paper we derive in Levi-Civita coordinates a linearized equation for the relative motion of two spacecrafts whose trajectories are in the same plane. We carry out also a numerical verification of these equations.

  4. Nickel-Tin Electrode Materials for Nonaqueous Li-Ion Cells

    Science.gov (United States)

    Ehrlich, Grant M.; Durand, Christopher

    2005-01-01

    Experimental materials made from mixtures of nickel and tin powders have shown promise for use as the negative electrodes of rechargeable lithium-ion electrochemical power cells. During charging (or discharging) of a lithium-ion cell, lithium ions are absorbed into (or desorbed from, respectively) the negative electrode, typically through an intercalation or alloying process. The negative electrodes (for this purpose, designated as anodes) in state-of-the-art Li-ion cells are made of graphite, in which intercalation occurs. Alternatively, the anodes can be made from metals, in which alloying can occur. For reasons having to do with the electrochemical potential of intercalated lithium, metallic anode materials (especially materials containing tin) are regarded as safer than graphite ones; in addition, such metallic anode materials have been investigated in the hope of obtaining reversible charge/discharge capacities greater than those of graphite anodes. However, until now, each of the tin-containing metallic anode formulations tested has been found to be inadequate in some respect.

  5. Photocatalytic activity of tin-doped TiO{sub 2} film deposited via aerosol assisted chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Chua, Chin Sheng, E-mail: cschua@simtech.a-star.edu.sg [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore); Singapore Institute of Manufacturing Technology, 71 Nanyang Drive, 638075 (Singapore); Tan, Ooi Kiang; Tse, Man Siu [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore); Ding, Xingzhao [Singapore Institute of Manufacturing Technology, 71 Nanyang Drive, 638075 (Singapore)

    2013-10-01

    Tin-doped TiO{sub 2} films are deposited via aerosol assisted chemical vapor deposition using a precursor mixture composing of titanium tetraisopropoxide and tetrabutyl tin. The amount of tin doping in the deposited films is controlled by the volume % concentration ratio of tetrabutyl tin over titanium tetraisopropoxide in the mixed precursor solution. X-ray diffraction analysis results reveal that the as-deposited films are composed of pure anatase TiO{sub 2} phase. Red-shift in the absorbance spectra is observed attributed to the introduction of Sn{sup 4+} band states below the conduction band of TiO{sub 2}. The effect of tin doping on the photocatalytic property of TiO{sub 2} films is studied through the degradation of stearic acid under UV light illumination. It is found that there is a 10% enhancement on the degradation rate of stearic acid for the film with 3.8% tin doping in comparison with pure TiO{sub 2} film. This improvement of photocatalytic performance with tin incorporation could be ascribed to the reduction of electron-hole recombination rate through charge separation and an increased amount of OH radicals which are crucial for the degradation of stearic acid. Further increase in tin doping results in the formation of recombination site and large anatase grains, which leads to a decrease in the degradation rate. - Highlights: ► Deposition of tin-doped TiO{sub 2} film via aerosol assisted chemical vapor deposition ► Deposited anatase films show red-shifted in UV–vis spectrum with tin-dopants. ► Photoactivity improves at low tin concentration but reduces at higher concentration. ► Improvement in photoactivity due to bandgap narrowing from Sn{sup 4+} band states ► Maximum photoactivity achieved occurs for films with 3.8% tin doping.

  6. Multi - pulse tea CO2 laser beam interaction with the TiN thin films

    International Nuclear Information System (INIS)

    Gakovic, B.; Trtica, M.; Nenadovic, T.; Pavlicevic, B.

    1998-01-01

    The interaction of various types of energetic beams including a laser beam with the high-hardness coatings is of great fundamental and technological interest. The Nd:YAG, excimer and CO 2 are frequently used laser beams for this purpose. The interaction of a laser beam with low thickness coatings, deposited on austenitic stainless steel, is insufficiently known in the literature. Titanium nitride (TiN) possess the excellent physico-chemical characteristics. For this reason TiN films/coatings are widely used. The purpose of this article is a consideration of the effect of TEA C0 2 laser radiation on the TiN film deposited on austenitic stainless steel substrate (AISI 316). Investigation of TiN morphological changes, after multipulse laser irradiation, shown dependence on laser fluence, number of laser pulses and the laser pulse shape. Subsequently fast heating and cooling during multi-pulse laser bombardment cause the grain growth of TiN layer. Both laser pulses (pulses with tail and tail-free pulses) produced periodical wave like structure on polished substrate material. Periodicity is observed also on AISI 316 protected with TiN layer, but only with laser pulse with tail. (author)

  7. Release path temperatures of shock-compressed tin from dynamic reflectance and radiance measurements

    Energy Technology Data Exchange (ETDEWEB)

    La Lone, B. M., E-mail: lalonebm@nv.doe.gov; Stevens, G. D.; Turley, W. D. [National Security Technologies, LLC, Special Technologies Laboratory, Santa Barbara, California 93111 (United States); Holtkamp, D. B. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Iverson, A. J. [National Security Technologies, LLC, Los Alamos Operations, Los Alamos, New Mexico 87544 (United States); Hixson, R. S.; Veeser, L. R. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); National Security Technologies, LLC, Los Alamos Operations, Los Alamos, New Mexico 87544 (United States)

    2013-08-14

    Dynamic reflectance and radiance measurements were conducted for tin samples shock compressed to 35 GPa and released to 15 GPa using high explosives. We determined the reflectance of the tin samples glued to lithium fluoride windows using an integrating sphere with an internal xenon flashlamp as an illumination source. The dynamic reflectance (R) was determined at near normal incidence in four spectral bands with coverage in visible and near-infrared spectra. Uncertainties in R/R{sub 0} are <2%, and uncertainties in absolute reflectance are <5%. In complementary experiments, thermal radiance from the tin/glue/lithium fluoride interface was recorded with similar shock stress and spectral coverage as the reflectance measurements. The two sets of experiments were combined to obtain the temperature history of the tin surface with an uncertainty of <2%. The stress at the interface was determined from photonic Doppler velocimetry and combined with the temperatures to obtain temperature-stress release paths for tin. We discuss the relationship between the experimental release paths and release isentropes that begin on the principal shock Hugoniot.

  8. Assessment of organotin and tin-free antifouling paints contamination in the Korean coastal area.

    Science.gov (United States)

    Lee, Mi-Ri-Nae; Kim, Un-Jung; Lee, In-Seok; Choi, Minkyu; Oh, Jeong-Eun

    2015-10-15

    Twelve organotins (methyl-, octyl-, butyl-, and phenyl-tin), and eight tin-free antifouling paints and their degradation products were measured in marine sediments from the Korean coastal area, and Busan and Ulsan bays, the largest harbor area in Korea. The total concentration of tin-free antifouling paints was two- to threefold higher than the total concentration of organotins. Principal component analysis was used to identify sites with relatively high levels of contamination in the inner bay area of Busan and Ulsan bays, which were separated from the coastal area. In Busan and Ulsan bays, chlorothalonil and DMSA were more dominant than in the coastal area. However, Sea-Nine 211 and total diurons, including their degradation products, were generally dominant in the Korean coastal area. The concentrations of tin and tin-free compounds were significantly different between the east and west coasts. Copyright © 2015 Elsevier Ltd. All rights reserved.

  9. Drude weight and optical conductivity of a two-dimensional heavy-hole gas with k-cubic spin-orbit interactions

    Energy Technology Data Exchange (ETDEWEB)

    Mawrie, Alestin; Ghosh, Tarun Kanti [Department of Physics, Indian Institute of Technology-Kanpur, Kanpur 208 016 (India)

    2016-01-28

    We present a detailed theoretical study on zero-frequency Drude weight and optical conductivity of a two-dimensional heavy-hole gas (2DHG) with k-cubic Rashba and Dresselhaus spin-orbit interactions. The presence of k-cubic spin-orbit couplings strongly modifies the Drude weight in comparison to the electron gas with k-linear spin-orbit couplings. For large hole density and strong k-cubic spin-orbit couplings, the density dependence of Drude weight deviates from the linear behavior. We establish a relation between optical conductivity and the Berry connection. Unlike two-dimensional electron gas with k-linear spin-orbit couplings, we explicitly show that the optical conductivity does not vanish even for equal strength of the two spin-orbit couplings. We attribute this fact to the non-zero Berry phase for equal strength of k-cubic spin-orbit couplings. The least photon energy needed to set in the optical transition in hole gas is one order of magnitude smaller than that of electron gas. Types of two van Hove singularities appear in the optical spectrum are also discussed.

  10. Hierarchical TiN nanoparticles-assembled nanopillars for flexible supercapacitors with high volumetric capacitance.

    Science.gov (United States)

    Qin, Ping; Li, Xingxing; Gao, Biao; Fu, Jijiang; Xia, Lu; Zhang, Xuming; Huo, Kaifu; Shen, Wenli; Chu, Paul K

    2018-05-10

    Titanium nitride (TiN) is an attractive electrode material in fast charging/discharging supercapacitors because of its excellent conductivity. However, the low capacitance and mechanical brittleness of TiN restricts its further application in flexible supercapacitors with high energy density. Thus, it is still a challenge to rationally design TiN electrodes with both high electrochemical and mechanical properties. Herein, the hierarchical TiN nanoparticles-assembled nanopillars (H-TiN NPs) array as binder free electrodes were obtained by nitriding of hierarchical titanium dioxide (TiO2) nanopillars, which was produced by a simple hydrothermal treatment of anodic TiO2 nanotubes (NTs) array in water. The porous TiN nanoparticles connected to each other to form ordered nanopillar arrays, effectively providing larger specific surface area and more active sites for charge storage. The H-TiN NPs delivered a high volumetric capacitance of 120 F cm-3 at 0.83 A cm-3, which is better than that of TiN NTs arrays (69 F cm-3 at 0.83 A cm-3). After assembling into all-solid-state devices, the H-TiN NPs based supercapacitors exhibited outstanding volumetric capacitance of 5.9 F cm-3 at 0.02 A cm-3 and a high energy density of 0.53 mW h cm-3. Our results reveal a new strategy to optimize the supercapacitive performance of metal nitrides.

  11. On the atmospheric drag in orbit determination for low Earth orbit

    Science.gov (United States)

    Tang, Jingshi; Liu, Lin; Miao, Manqian

    2012-07-01

    orbit is propagated to the end of the 11th day (including the first day for POD). It is found that this approach provides reasonable results that match the analytical accuracy. At the end of the 11th day, the along-track error increases to 20km following an approximate time-square law, while the radial error a few hundred meters, the normal error below 50 meters and both follow a mild linear law. The results show that with accurate observation, the mean atmospheric density processed with appropriate approach is sufficient to provide reasonably precise orbit in prediction and determination without having to acquire accurate atmosphere conditions. Once long arc becomes available, the parameter B^* can also be used to study its long-term variation (monthly or seasonal). This can be expected as an alternative way to improve orbit accuracy in prediction and determination for LEO.

  12. Modulating indium doped tin oxide electrode properties for laccase electron transfer enhancement

    Energy Technology Data Exchange (ETDEWEB)

    Diaconu, Mirela [National Institute for Biological Sciences, Centre of Bioanalysis, 296 Spl. Independentei, Bucharest 060031 (Romania); Chira, Ana [National Institute for Biological Sciences, Centre of Bioanalysis, 296 Spl. Independentei, Bucharest 060031 (Romania); Politehnica University of Bucharest, Faculty of Applied Chemistry and Materials Science, 1-7 Polizu Str., 011061 (Romania); Radu, Lucian, E-mail: gl_radu@chim.upb.ro [Politehnica University of Bucharest, Faculty of Applied Chemistry and Materials Science, 1-7 Polizu Str., 011061 (Romania)

    2014-08-28

    Indium doped tin oxide (ITO) electrodes were functionalized with gold nanoparticles (GNPs) and cysteamine monolayer to enhance the heterogeneous electron transfer process of laccase from Trametes versicolor. The assembly of GNP on ITO support was performed through generation of H{sup +} species at the electrode surface by hydroquinone electrooxidation at 0.9 V vs Ag/AgCl. Uniform distribution of gold nanoparticle aggregates on electrode surfaces was confirmed by atomic force microscopy. The size of GNP aggregates was in the range of 200–500 nm. The enhanced charge transfer at the GNP functionalized ITO electrodes was observed by cyclic voltammetry (CV) and electrochemical impedance spectroscopy. Electrocatalytic behavior of laccase immobilized on ITO modified electrode toward oxygen reduction reaction was evaluated using CV in the presence of 2,2′-azino-bis 3-ethylbenzothiazoline-6-sulfuric acid (ABTS). The obtained sigmoidal-shaped voltammograms for ABTS reduction in oxygen saturated buffer solution are characteristic for a catalytic process. The intensity of catalytic current increased linearly with mediator concentration up to 6.2 × 10{sup −4} M. The registered voltammogram in the absence of ABTS mediator clearly showed a significant faradaic current which is the evidence of the interfacial oxygen reduction. - Highlights: • Assembly of gold nanoparticles on indium tin oxide support at positive potentials • Electrochemical and morphological evaluation of the gold nanoparticle layer assembly • Bioelectrocatalytic oxygen reduction on laccase modified electrode.

  13. Anomalous growth of whisker-like bismuth-tin extrusions from tin-enriched tin-Bi deposits

    International Nuclear Information System (INIS)

    Hu, C.-C.; Tsai, Y.-D.; Lin, C.-C.; Lee, G.-L.; Chen, S.-W.; Lee, T.-C.; Wen, T.-C.

    2009-01-01

    This article shows the first finding that the anomalous growth of Bi-Sn extrusions from tin-enriched alloys (Sn-xBi with x between 20 and 10 wt.%) can be induced by post-plating annealing in N 2 between 145 and 260 deg. C for 10 min although metal whiskers were commonly formed on the surface of pure metals or alloys of the enriched component. From SEM observations, very similar to Sn whiskers, Bi-Sn extrusions vary in size, shape, length, and diameter with changing the annealing temperature, which are highly important in regarding the potential for failure of electronic products. Annealing resulting in thermal expansion of Sn grains is believed to squeeze the Bi-Sn alloys with relatively low melting points to form whisker-like extrusions although the exact mechanism is unclear

  14. An Empirical Model for Estimating the Probability of Electrical Short Circuits from Tin Whiskers. Part 2

    Science.gov (United States)

    Courey, Karim; Wright, Clara; Asfour, Shihab; Onar, Arzu; Bayliss, Jon; Ludwig, Larry

    2009-01-01

    In this experiment, an empirical model to quantify the probability of occurrence of an electrical short circuit from tin whiskers as a function of voltage was developed. This empirical model can be used to improve existing risk simulation models. FIB and TEM images of a tin whisker confirm the rare polycrystalline structure on one of the three whiskers studied. FIB cross-section of the card guides verified that the tin finish was bright tin.

  15. Moessbauer study of the lattice dynamics of tin atoms in antimony

    International Nuclear Information System (INIS)

    Sitek, J.

    1975-01-01

    The Moessbauer effect probability f was investigated for tin impurity atoms in the SnSb solution (the impurity varied from 3 at% to 15 at%). The absolute value of the Moessbauer effect probability was determined from Moessbauer absorption spectra by the area method using a calibration absorber of a β-tin foil with known f. (Z.S.)

  16. Fast, versatile x-ray fluorescence method for measuring tin in impregnated wood

    DEFF Research Database (Denmark)

    Drabæk, I.; Christensen, Leif Højslet

    1985-01-01

    The present paper describes an energy-dispersive x-ray fluorescence method for measuring tin in bis(tri-n-butyl)tin-oxide impregnated wood. The proposed method is of the backscatter/fundamental parameter type. Its versatility, precision, and accuracy is demonstrated by analyses of eleven samples...

  17. Synthesis and electrochemical properties of tin oxide-based composite by rheological technique

    International Nuclear Information System (INIS)

    He Zeqiang; Li Xinhai; Xiong Lizhi; Wu Xianming; Xiao Zhuobing; Ma Mingyou

    2005-01-01

    Novel rheological technique was developed to synthesize tin oxide-based composites. The microstructure, morphology, and electrochemical performance of the materials were investigated by X-ray diffraction, scanning electron microscopy and electrochemical methods. The particles of tin oxide-based materials form an inactive matrix. The average size of the particles is about 150 nm. The material delivers a charge capacity of more than 570 mAh g -1 . The capacity loss per cycle is about 0.15% after being cycled 30 times. The good electrochemical performance indicates that this kind of tin oxide-based material is promising anode for lithium-ion battery

  18. Extraction of Spin-Orbit Interactions from Phase Shifts via Inversion

    International Nuclear Information System (INIS)

    Lun, D.R.; Buckman, S.J.

    1997-01-01

    An exact inversion procedure for obtaining the central and spin-orbit potential from phase shifts at fixed energy is described. The method, based on Sabatier interpolation formulas, reduces the nonlinear problem to linear-algebraic equations. We have tested the method with a Woods-Saxon potential with a strong spin-orbit component. copyright 1997 The American Physical Society

  19. First-principles study of the structural and elastic properties of AuxV1-x and AuxNb1-x alloys

    Science.gov (United States)

    Al-Zoubi, N.

    2018-04-01

    Ab initio total energy calculations, based on the Exact Muffin-Tin Orbitals (EMTO) method in combination with the coherent potential approximation (CPA), are used to calculate the total energy of AuxV1-x and AuxNb1-x random alloys along the Bain path that connects the body-centred cubic (bcc) and face-centred cubic (fcc) structures as a function of composition x (0 ≤ x ≤ 1). The equilibrium Wigner-Seitz radius and the elastic properties of both systems are determined as a function of composition. Our theoretical prediction in case of pure elements (x = 0 or x = 1) are in good agreement with the available experimental data. For the Au-V system, the equilibrium Wigner-Seitz radius increase as x increases, while for the Au-Nb system, the equilibrium Wigner-Seitz radius is almost constant. The bulk modulus B and C44 for both alloys exhibit nearly parabolic trend. On the other hand, the tetragonal shear elastic constant C‧ decreases as x increases and correlates reasonably well with the structural energy difference between fcc and bcc structures. Our results offer a consistent starting point for further theoretical and experimental studies of the elastic and micromechanical properties of Au-V and Au-Nb systems.

  20. Tin Whisker Electrical Short Circuit Characteristics. Part 2

    Science.gov (United States)

    Courey, Karim J.; Asfour, Shihab S.; Onar, Arzu; Bayliss, Jon A.; Ludwig, Lawrence L.; Wright, Maria C.

    2009-01-01

    Existing risk simulations make the assumption that when a free tin whisker has bridged two adjacent exposed electrical conductors, the result is an electrical short circuit. This conservative assumption is made because shorting is a random event that has an unknown probability associated with it. Note however that due to contact resistance electrical shorts may not occur at lower voltage levels. In our first article we developed an empirical probability model for tin whisker shorting. In this paper, we develop a more comprehensive empirical model using a refined experiment with a larger sample size, in which we studied the effect of varying voltage on the breakdown of the contact resistance which leads to a short circuit. From the resulting data we estimated the probability distribution of an electrical short, as a function of voltage. In addition, the unexpected polycrystalline structure seen in the focused ion beam (FIB) cross section in the first experiment was confirmed in this experiment using transmission electron microscopy (TEM). The FIB was also used to cross section two card guides to facilitate the measurement of the grain size of each card guide's tin plating to determine its finish.

  1. Vanadocene reactions with mixed acylates of silicon, germanium and tin

    International Nuclear Information System (INIS)

    Latyaeva, V.N.; Lineva, A.N.; Zimina, S.V.; Gordetsov, A.S.; Dergunov, Yu.I.

    1981-01-01

    Vanadocene interaction with di-and tri-alkyl (aryl)-derivatives of silicon, tin and germanium is studied. Dibutyltin dibenzoate under mild conditions (20 deg C, toluene) oxidates vanadocene to [CpV(OCOC 6 H 5 ) 2 ] 2 , at that, the splitting off of one Cp group in the form of cyclopentadiene and formation of the products of tin-organic fragment disproportionation (tributyltin benzoate, dibutyltin, metallic tin) take place. Tributyltin benzoate oxidates vanadocene at the mole ratio 2:1 and during prolong heating (120 deg C) in the absence of the solvent, [CpV(OCOC 6 H 5 ) 2 ] 2 and hexabutyldistannate are the products of the reaction. Acetates R 3 SnOCOCH 3 react in the similar way. The reactivity of mono- and diacylates of germanium and silicon decreases in the series of derivatives Sn>Ge>Si [ru

  2. Cyclic voltammetric study of tin hexacyanoferrate for aqueous battery applications

    Directory of Open Access Journals (Sweden)

    Denys Gromadskyi

    2016-09-01

    Full Text Available A hybrid composite containing 65 mass % of tin hexacyanoferrate mixed with 35 mass % of carbon nanotubes has been synthesized and its electrochemical behavior as a negative electrode in alkali metal-ion batteries has been studied in 1 mol L-1 aqueous solution of sodium sulfate. The specific capacity of pure tin hexacyanoferrate is 58 mAh g-1, whereas the specific capacity normalized per total electrode mass of the composite studied reaches 34 mAh g-1. The estimated maximal specific power of an aqueous alkali-metal ion battery with a tin hexacyanoferrate electrode is ca. 3.6 kW kg-1 being comparable to characteristics of industrial electric double-layer capacitors. The maximal specific energy accumulated by this battery may reach 25.6 Wh kg-1 at least three times exceeding the specific energy for supercapacitors.

  3. Recovery of antimony-125 from tin-124 irradiated by neutrons

    International Nuclear Information System (INIS)

    Baluev, A.V.; Mityakhina, V.S.; Krasnikov, L.V.; Galkin, B.Ya.; Besnosyuk, V.I.

    2003-01-01

    Separation of 125 Sb from tin using highly basic, medium-basic, and weakly basic ion-exchangers was studied. The best results were obtained for AN-31 weakly basic anion exchanger. The yield of 125 Sb was 95 -98 % of the initial activity, the yield of tin, 98 ± 0.5% of the initial amount. The separation coefficient is 10 6 -10 7 for one cycle. A procedure based on ion exchange was developed. Extraction procedures of separation of 125 Sb from tin were studied. Isoamyl alcohol, ethyl acetate, and di-n-butyl ether were used as extracting agents. The most efficient extracting agent is di-n-butyl ether. Carrier-free radiochemically pure sample of 125 Sb was produced. More than 20 mCi of the target product was recovered. The extraction recovery procedure of 125 Sb has been developed. (author)

  4. Technical problems associated with the production of technetium Tc 99m tin(II) pyrophosphate kits

    International Nuclear Information System (INIS)

    Kowalsky, R.J.; Dalton, D.R.

    1981-01-01

    The amount of tin(II) required for adequate reduction, complexation, and stability of technetium Tc 99m pertechnetate in radiopharmaceutical kits, and methods of preventing the loss of tin(II) during formulation of these lyophilized kits are investigated. Tin(II) loss from stannous chloride solutions was studied under several conditions, including room air versus nitrogen atmospheres, during vial filling in a laminar-flow hood with samples frozen on dry ice versus samples at room temperature, during lyophilization, and during storage under refrigerated, ambient, and elevated temperatures. Various amounts of stannous chloride, ranging from 5 to 1000 microgram/ml, were used in formulating sodium pertechnetate Tc 99m kits containing 100 mCi technetium Tc 99m and 0.4 microgram total technetium. Samples were removed at various times; hydrolyzed technetium, pertechnetate, and technetium Tc 99m pyrophosphate were isolated on instant thin-layer chromatography-silica gel and quantified with a scintillation counter. The time necessary to deoxygenate distilled water by nitrogen purging was measured. Several sources of stannous chloride were assayed for tin(II) content. Tin(II) loss occurs rapidly in solution (15% in one hour) unless continuously protected with nitrogen, and during vial filling in a laminar-flow hood unless frozen with dry ice. No substantial loss of tin(II) was detected during lyophilization or during storage of lyophilized product at any of the three temperatures. A minimum of 400 microgram tin(II) was required to provide 90% technetium Tc 99m pyrophosphate at six hours after preparation. Adequate deoxygenation of small quantities (450 ml) of water was accomplished in less than one hour. Some stannous chloride salts were highly oxidized in the dry state, and only high-purity elemental tin wire gave acceptable yields of tin

  5. Mid-infrared optical properties of chalcogenide glasses within tin-antimony-selenium ternary system.

    Science.gov (United States)

    Lin, Ruiqiang; Chen, Feifei; Zhang, Xiaoyu; Huang, Yicong; Song, Baoan; Dai, Shixun; Zhang, Xianghua; Ji, Wei

    2017-10-16

    In this work, we investigated the mid-infrared (MIR) optical properties of selenide (Se-based) chalcogenide glasses (ChGs) within an As- and Ge-free system, namely the environment-friendly and low-cost tin-antimony-selenium (Sn-Sb-Se, SSS) ternary system, which has not been systematically studied to the best of our knowledge. As compared to ChGs within those conventional Se-based systems, SSS ChGs were found to exhibit extended infrared transmittance range as well as larger linear refractive index (n 0 ). Femtosecond Z-scan measurements show the presence of evident three-photon absorption from Urbach absorption of the SSS ChGs at MIR wavelength, which resonantly enhanced the nonlinear refractive behavior and resulted in large nonlinear refractive index (n 2 ).

  6. UV-visible spectroscopic estimation of photodegradation of rhodamine-B dye using tin(IV) oxide nanoparticles.

    Science.gov (United States)

    Sangami, G; Dharmaraj, N

    2012-11-01

    Nanocrystalline, tin(IV) oxide (SnO(2)) particles has been prepared by thermal decomposition of tin oxalate precursor obtained from the reactions of tin(IV) chloride and sodium oxalate using eggshell membrane (ESM). The as-prepared SnO(2) nanoparticles were characterized by thermal studies, transmission electron microscopy (TEM), powder X-ray diffraction (XRD), Raman, FT-IR and UV-visible studies and used as a photocatalyst for the degradation of rhodamine-B (Rh-B) dye. The size of the prepared nanoparticles was in the range of 5-12nm as identified from the TEM images. Powder XRD data revealed the presence of a tetragonal, rutile crystalline phase of the tin(IV) oxide nanoparticles. Thermal analysis showed that the decomposition of tin oxalate precursor to yield the titled tin(IV) oxide nanoparticles was completed below 500°C. The extent of degradation of Rh-B in the presence of SnO(2) monitored by absorption spectral measurements demonstrated that 94.48% of the selected dye was degraded upon irradiation with UV light for 60 min. Copyright © 2012 Elsevier B.V. All rights reserved.

  7. Preparation of tin -heparin complex to be applied for myocardial infarct diagnosis

    International Nuclear Information System (INIS)

    Badi, J. M.; Al-Azzawi, H. A.; Resen, H. M.; Abed, I. G.; Owiad, H.; Manji, A. N.

    2012-12-01

    Tin-heparin complex has been prepared (liquid form) to be labeled with technetium-99 can be applied for diagnosis of myocardial infarcts vascular diseases and deep vein thrombosis. The preparation contents are 0.1mg tin chloride dehydrate and 1250 1.U of heparin. The results of the pH effect on the labeling yield indicated that high percentage of labeling yield (96.1%) was obtained in the optimal pH (5.50). The obtained results showed that the quantity of reducing agent (tin chloride dehydrate) and chelating agent (heparin) has no effect on the labeling yield. Results of radio analytical studies by paper chromatography technique wear confirmed by data obtained by Gel chromatography column scanning techniques. These techniques showed the high labeling yield of the tin-heparin complex. The persistence of high labeling yield for 8 hours is a good indication for its stability and efficiency for radio diagnosis examination in nuclear medicine centers. (Author)

  8. X-ray radiometric separation of low-grade tin ores

    Energy Technology Data Exchange (ETDEWEB)

    Kotler, N.I.; Neverov, A.D.; Konovalov, V.M.; Mironov, I.I.; Zakharov, S.N.

    1984-10-01

    The investigations on evaluation of X-ray radiometric separation of off-grade tin ores of one of the deposits are carried out. The experiments have been performed at loboratory and pilot-commerical plants. /sup 241/Am has been used as a radiation source. In the course of facility commercial the ore has been separated by means of a device comprising a separator and gate separatin device. The results of X-ray radiometric separation have shown its high productive efficiency. Concentrates with higher tin content at high extraction from ores are obtained.

  9. X-ray radiometric separation of low-grade tin ores

    International Nuclear Information System (INIS)

    Kotler, N.I.; Neverov, A.D.; Konovalov, V.M.; Mironov, I.I.; Zakharov, S.N.

    1984-01-01

    The investigations on evaluation of X-ray radiometric separation of off-grade tin ores of one of the deposits are carried out. The experiments have been performed at loboratory and pilot-commerical plants. 241 Am has been used as a radiation source. In the course of facility commercial the ore has been separated by means of a device comprising a separator and gate separatin device. The results of X-ray radiometric separation have shown its high productive efficiency. Concentrates with higher tin content at high extraction from ores are obtained

  10. Structural and electronic properties of lithium intercalated graphite LiC6

    CSIR Research Space (South Africa)

    Kganyago, KR

    2003-11-01

    Full Text Available Thomas-Fermi plus gradient approximation,44 the Korringa-Kohn-Rostoker45,46 ~KKR! method,47 the FLAPW method,26,37,48 full potential linear muf?n-tin-orbital~FLMTO! method,49?51 the ab initio pseudopotential ~PP! method,52?57 linear muf... excess near a. This delocalization of the electrons in the interplanar region was reported by Charlier et al.90 and is used in our study to evaluate the corrections to the exchange- correlation term of the Kohn-Sham equations and under- standing...

  11. Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations

    Science.gov (United States)

    Hung, Linda; Huang, Chen; Shin, Ilgyou; Ho, Gregory S.; Lignères, Vincent L.; Carter, Emily A.

    2010-12-01

    Orbital-free density functional theory (OFDFT) is a first principles quantum mechanics method to find the ground-state energy of a system by variationally minimizing with respect to the electron density. No orbitals are used in the evaluation of the kinetic energy (unlike Kohn-Sham DFT), and the method scales nearly linearly with the size of the system. The PRinceton Orbital-Free Electronic Structure Software (PROFESS) uses OFDFT to model materials from the atomic scale to the mesoscale. This new version of PROFESS allows the study of larger systems with two significant changes: PROFESS is now parallelized, and the ion-electron and ion-ion terms scale quasilinearly, instead of quadratically as in PROFESS v1 (L. Hung and E.A. Carter, Chem. Phys. Lett. 475 (2009) 163). At the start of a run, PROFESS reads the various input files that describe the geometry of the system (ion positions and cell dimensions), the type of elements (defined by electron-ion pseudopotentials), the actions you want it to perform (minimize with respect to electron density and/or ion positions and/or cell lattice vectors), and the various options for the computation (such as which functionals you want it to use). Based on these inputs, PROFESS sets up a computation and performs the appropriate optimizations. Energies, forces, stresses, material geometries, and electron density configurations are some of the values that can be output throughout the optimization. New version program summaryProgram Title: PROFESS Catalogue identifier: AEBN_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEBN_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 68 721 No. of bytes in distributed program, including test data, etc.: 1 708 547 Distribution format: tar.gz Programming language: Fortran 90 Computer

  12. Tunnel current across linear homocatenated germanium chains

    International Nuclear Information System (INIS)

    Matsuura, Yukihito

    2014-01-01

    The electronic transport properties of germanium oligomers catenating into linear chains (linear Ge chains) have been theoretically studied using first principle methods. The conduction mechanism of a Ge chain sandwiched between gold electrodes was analyzed based on the density of states and the eigenstates of the molecule in a two-probe environment. Like that of silicon chains (Si chains), the highest occupied molecular orbital of Ge chains contains the extended σ-conjugation of Ge 4p orbitals at energy levels close to the Fermi level; this is in contrast to the electronic properties of linear carbon chains. Furthermore, the conductance of a Ge chain is expected to decrease exponentially with molecular length L. The decay constant β, which is defined as e −βL , of a Ge chain is similar to that of a Si chain, whereas the conductance of the Ge chains is higher than that of Si chains even though the Ge–Ge bond length is longer than the Si–Si bond length

  13. Tin- and Lead-Based Perovskite Solar Cells under Scrutiny: An Environmental Perspective

    DEFF Research Database (Denmark)

    Serrano-Luján, Lucía; Espinosa Martinez, Nieves; Larsen-Olsen, Thue Trofod

    2015-01-01

    The effect of substituting lead with tin in perovskite-based solar cells (PSCs) has shows that lead is preferred over tin by a lower cumulative energy demand. The results, which also include end-of-life management, show that a recycling scenario that carefully handles emission of lead enables use...

  14. The relationship between critical current and microstructure of internal tin wire

    International Nuclear Information System (INIS)

    Dietderich, D.R.; Hassenzahl, W.V.; Morris, J.W. Jr.

    1986-01-01

    Prior work on internal tin wire has shown that an increase in critical current results when the Nb 3 Sn reaction temperatures (650-730 0 C) are preceded by low temperature diffusion heat treatments that distribute the tin. These heat treatments produce a more uniform tin distribution through the niobium filament array before substantial Nb 3 Sn formation has occurred. Heat treatments as long as 19 days have been proposed as the optimal heat treatment for the conductor. However, it is possible to substantially reduce the low temperature heat treatment time while retaining the same high critical current. The success of shortened heat treatments may be interpreted on the basis of the Cu-Sn reaction, diffusion kinetics and the Nb 3 Sn growth kinetics

  15. Isotope Dilution - Thermal Ionisation Mass Spectrometric Analysis for Tin in a Fly Ash Material

    International Nuclear Information System (INIS)

    Hernandez, C.; Fernandez, M.; Quejido, A. L.

    2006-01-01

    Isotope dilution-thermal ionisation mass spectrometry (ID-TIMS) analysis has been applied to the determination of tin in a fly ash sample supplied by the EC Joint Research Centre (Ispra, Italy). The proposed procedure includes the silica gel/phosphoric acid technique for tin thermal ionisation activation and a strict heating protocol for isotope ratio measurements. Instrumental mass discrimination factor has been previously determined measuring a natural tin standard solution. Spike solutions has been prepared from 112Sn-enriched metal and quantified by reverse isotope dilution analysis. Two sample aliquots were spiked and tin was extracted with 4,5 M HCI during 25 min ultrasound esposure time. Due to the complex matrix of this fly ash material, a two-steps purification stage using ion-exchange chromatography was required prior TIMS analysis. Obtained results for the two sample-spike blends (10,10 + - 0,55 y 10,50 + - 0,64 imolg-1) are comprarable, both value and uncertainty. Also a good reproducibility is observed between measurements. The proposed ID-TIMS procedure, as a primary method and due to the lack of fly ash reference material certified for tin content, can be used to validate more routine methodologies applied to tin determination in this kind of materials. (Author) 75 refs

  16. Dynamic orbital textures in 3He-A

    International Nuclear Information System (INIS)

    Hall, H.E.; Hook, J.R.; Main, P.C.; Bagley, M.

    1978-01-01

    Three related pieces of work on the dynamic orbital texture of 3 He-A in a slab geometry have been carried out. (1) The non-linear equation of motion of the orbital axis has been studied analytically and numerically for heat flow normal to a slab. If the product of counter-flow velocity and slab thickness is greater than 5 π h/3 m, the lower energy uniform texture is unstable, and persistent orbital oscillation results in. (2) The torsion pendulum experiment has demonstrated the alignment of l by flow in a channel of width 380 μm. In this experiment, the oscillation was rapid as compared with the orbital relaxation time, so that the texture is controlled by the root mean square velocity. (3) In an attempt to observe directly the dissipation by orbital viscosity, the torsion pendulum experiment has been repeated with 17μm flow channels, for which orbital relaxation time and oscillation period should be comparable. Dissipation above a critical amplitude that occurs in the A-phase but not in the B-phase was observed. The dissipation is of the expected magnitude. (Kobatake, H

  17. Dynamic and reduced-dynamic precise orbit determination of satellites in low earth orbits

    International Nuclear Information System (INIS)

    Swatschina, P.

    2009-01-01

    The precise positioning of satellites in Low Earth Orbits (LEO) has become a key technology for advanced space missions. Dedicated satellite missions, such as CHAMP, GRACE and GOCE, that aim to map the Earths gravity field and its variation over time with unprecedented accuracy, initiated the demand for highly precise orbit solutions of LEO satellites. Furthermore, a wide range of additional science opportunities opens up with the capability to generate accurate LEO orbits. For all considered satellite missions, the primary measurement system for navigation is a spaceborne GPS receiver. The goal of this thesis is to establish and implement methods for Precise Orbit Determination (POD) of LEO satellites using GPS. Striving for highest precision using yet efficient orbit generation strategies, the attained orbit solutions are aimed to be competitive with the most advanced solutions of other institutions. Dynamic and reduced-dynamic orbit models provide the basic concepts of this work. These orbit models are subsequently adjusted to the highly accurate GPS measurements. The GPS measurements are introduced at the zero difference level in the ionosphere free linear combination. Appropriate procedures for GPS data screening and editing are established to detect erroneous data and to employ measurements of good quality only. For the dynamic orbit model a sophisticated force model, especially designed for LEO satellites, has been developed. In order to overcome the limitations that are induced by the deficiencies of the purely dynamical model, two different types of empirical parameters are introduced into the force model. These reduced-dynamic orbit models allow for the generation of much longer orbital arcs while preserving the spacecraft dynamics to the most possible extent. The two methods for reduced-dynamic orbit modeling are instantaneous velocity changes (pulses) or piecewise constant accelerations. For both techniques highly efficient modeling algorithms are

  18. Antimony Doped Tin Oxides and Their Composites with Tin pyrophosphates as Catalyst Supports for Oxygen Evolution Reaction in Proton Exchange Membrane Water Electrolysis

    DEFF Research Database (Denmark)

    Xu, Junyuan; Li, Qingfeng; Christensen, Erik

    2012-01-01

    Proton exchange membrane water electrolysers operating at typically 80 °C or at further elevated temperatures suffer from insufficient catalyst activity and durability. In this work, antimony doped tin oxide nanoparticles were synthesized and further doped with an inorganic proton conducting phase...... based on tin pyrophosphates as the catalyst support. The materials showed an overall conductivity of 0.57 S cm−1 at 130 °C under the water vapor atmosphere with a contribution of the proton conduction. Using this composite support, iridium oxide nanoparticle catalysts were prepared and characterized...

  19. Electronegativity-dependent tin etching from thin films

    Energy Technology Data Exchange (ETDEWEB)

    Pachecka, M., E-mail: m.pachecka@utwente.nl; Sturm, J. M.; Kruijs, R. W. E. van de; Lee, C. J.; Bijkerk, F. [Industrial Focus Group XUV Optics, MESA+ Institute for Nanotechnology, University of Twente, Drienerlolaan 5, Enschede (Netherlands)

    2016-07-15

    The influence of a thin film substrate material on the etching of a thin layer of deposited tin (Sn) by hydrogen radicals was studied. The amount of remaining Sn was quantified for materials that cover a range of electronegativities. We show that, for metals, etching depends on the relative electronegativity of the surface material and Sn. Tin is chemically etched from surfaces with an electronegativity smaller than Sn, while incomplete Sn etching is observed for materials with an electronegativity larger than Sn. Furthermore, the amount of remaining Sn increases as the electronegativity of the surface material increases. We speculate, that, due to Fermi level differences in the material’s electronic structure, the energy of the two conduction bands shift such that the availability of electrons for binding with hydrogen is significantly reduced.

  20. Electronic structure of TlBa2CaCu2O7-δ

    Science.gov (United States)

    Vasquez, R. P.; Novikov, D. L.; Freeman, A. J.; Siegal, M. P.

    1997-06-01

    The core levels of TlBa2CaCu2O7-δ (Tl-1212) epitaxial films have been measured with x-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin-tin-orbital band-structure method and measured with XPS. The calculations show that a van Hove singularity (VHS) lies above the Fermi level (EF) for the stoichiometric compound (δ=0), while for 50% oxygen vacancies in the Tl-O layer (δ=0.5) EF is in close proximity to the VHS. Samples annealed in nitrogen (to reduce the hole overdoping by the removal of oxygen) exhibit higher core-level binding energies and a higher Tc, consistent with a shift of EF closer to the VHS. Comparisons are made to the core levels and valence bands of Tl2Ba2CaCu2O8+δ (Tl-2212) and HgBa2CaCu2O6+δ (Hg-1212). The similarity of the Cu 2p3/2 spectra for Tl-1212 and Tl-2212 indicates that the number of Tl-O layers has little effect on the Cu-O bonding. However, the Tl-1212 and Hg-1212 Cu 2p3/2 signals exhibit differences which suggest that the replacement of Tl3+ with Hg2+ results in a decrease in the O 2p-->Cu 3d charge-transfer energy and differences in the probabilities of planar vs apical oxygen charge transfer and/or Zhang-Rice singlet-state formation. Differences between the Tl-1212 and the Tl-2212 and Hg-1212 measured valence bands are consistent with the calculated Cu 3d and (Tl,Hg) 6s/5d partial densities of states.

  1. Electronic structure of TlBa2CaCu2O7-δ

    International Nuclear Information System (INIS)

    Vasquez, R.P.; Novikov, D.L.; Freeman, A.J.; Siegal, M.P.

    1997-01-01

    The core levels of TlBa 2 CaCu 2 O 7-δ (Tl-1212) epitaxial films have been measured with x-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin-tin-orbital band-structure method and measured with XPS. The calculations show that a van Hove singularity (VHS) lies above the Fermi level (E F ) for the stoichiometric compound (δ=0), while for 50% oxygen vacancies in the Tl-O layer (δ=0.5) E F is in close proximity to the VHS. Samples annealed in nitrogen (to reduce the hole overdoping by the removal of oxygen) exhibit higher core-level binding energies and a higher T c , consistent with a shift of E F closer to the VHS. Comparisons are made to the core levels and valence bands of Tl 2 Ba 2 CaCu 2 O 8+δ (Tl-2212) and HgBa 2 CaCu 2 O 6+δ (Hg-1212). The similarity of the Cu 2p 3/2 spectra for Tl-1212 and Tl-2212 indicates that the number of Tl-O layers has little effect on the Cu-O bonding. However, the Tl-1212 and Hg-1212 Cu 2p 3/2 signals exhibit differences which suggest that the replacement of Tl 3+ with Hg 2+ results in a decrease in the O 2p→Cu 3d charge-transfer energy and differences in the probabilities of planar vs apical oxygen charge transfer and/or Zhang-Rice singlet-state formation. Differences between the Tl-1212 and the Tl-2212 and Hg-1212 measured valence bands are consistent with the calculated Cu 3d and (Tl,Hg) 6s/5d partial densities of states. copyright 1997 The American Physical Society

  2. Electronic Structure of TlBa2CaCu2O(7-Delta)

    Science.gov (United States)

    Vasquez, R. P.; Novikov, D. L.; Freeman, A. J.; Siegal, M. P.

    1997-01-01

    The core levels of TlBa2CaCu2O(7-delta) (Tl-1212) epitaxial films have been measured with X-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin-tin-orbital band-structure method and measured with XPS. The calculations show that a van Hove singularity (VHS) lies above the Fermi level (E(sub F)) for the stoichiometric compound (delta = 0.5), while for 50% oxygen vacancies in the Tl-O layer (delta = 0.5) E(sub F) is in close proximity to the VHS. Samples annealed in nitrogen (to reduce the hole overdoping by the removal of oxygen) exhibit higher core-level binding energies and a higher T(sub c), consistent with a shift of E(sub F) closer to the VHS. Comparisons are made to the core levels and valence bands of Tl2Ba2CaCu2O(8 + delta)(Tl-2212) and HgBa2CaCu2O)6 + delta) (Hg- 1212). The similarity of the Cu 2p(sub 3/2) spectra for Tl-1212 and Tl-2212 indicates that the number of Tl-O layers has little effect on the Cu-O bonding. However, the Tl-1212 and Hg-1212 Cu 2p(sub 3/2) signals exhibit differences which suggest that the replacement of T(sup 3+) with Hg(sup 2+) results in a decrease in the O 2p right arrow Cu 3d charge-transfer energy and differences in the probabilities of planar vs apical oxygen charge transfer and/or Zhang-Rice singlet-state formation. Differences between the Tl-1212 and the Tl-2212 and Hg-1212 measured valence bands are consistent with the calculated Cu 3d and (Tl,Hg) 6s/5d partial densities of states.

  3. Electronic properties and structural phase transition in A4 [M4O4] (A=Li, Na, K and Rb; M=Ag and Cu): A first principles study

    Science.gov (United States)

    Umamaheswari, R.; Yogeswari, M.; Kalpana, G.

    2013-02-01

    Self-consistent scalar relativistic band structure calculations for AMO (A=Li, Na, K and Rb; M=Ag and Cu) compounds have been performed using the tight-binding linear muffin-tin orbital (TB-LMTO) method within the local density approximation (LDA). At ambient conditions, these compounds are found to crystallize in tetragonal KAgO-type structure with two different space group I-4m2 and I4/mmm. Nowadays, hypothetical structures are being considered to look for new functional materials. AMO compounds have stoichiometry similar to eight-electron half-Heusler materials of type I-I-VI which crystallizes in cubic (C1b) MgAgAs-type structure with space group F-43m. For all these compounds, by interchanging the positions of atoms in the hypothetical cubic structure, three phases (α, β and γ) are formed. The energy-volume relation for these compounds in tetragonal KAgO-type structure and cubic α, β and γ phases of related structure have been obtained. Under ambient conditions these compounds are more stable in tetragonal KAgO-type (I4/mmm) structure. The total energies calculated within the atomic sphere approximation (ASA) were used to determine the ground state properties such as equilibrium lattice parameters, c/a ratio, bulk modulus, cohesive energy and are compared with the available experimental results. The results of the electronic band structure calculations at ambient condition show that LiCuO and NaMO are indirect band gap semiconductors whereas KMO and RbMO are direct band gap semiconductors. At high pressure the band gap decreases and the phenomenon of band overlap metallization occur. Also these compounds undergo structural phase transition from tetragonal I-4m2 phase to cubic α-phase and transition pressures were calculated.

  4. IMPROVEMENT OF FATIGUE STRENGTH OF TIN BABBITT BY REINFORCING WITH NANO ILMENITE

    Directory of Open Access Journals (Sweden)

    M. V. S. BABU

    2017-08-01

    Full Text Available Tin Babbitt is an idle journal bearing material, its fatigue strength limits and its usage. To enhance its fatigue strength, in this paper a Tin Babbitt metal matrix is reinforced with nano Ilmenite. The metal matrix nanocomposite was fabricated by using ultrasonic assisted stir casting technique. ASTM standards in statistical planning for fatigue testing were employed in planning the fatigue tests. Fatigue tests were conducted at three stress levels, i.e., 0.9 UTS, 0.7 UTS and 0.5 UTS. Tests were conducted on a rotating-beam type fatigue testing machine. It was observed that the nano Ilmenite reinforcement enhanced the fatigue strength of Tin Babbitt.

  5. Experimental study on TiN coated racetrack-type ceramic pipe

    Science.gov (United States)

    Wang, Jie; Xu, Yan-Hui; Zhang, Bo; Wei, Wei; Fan, Le; Pei, Xiang-Tao; Hong, Yuan-Zhi; Wang, Yong

    2015-11-01

    TiN film was coated on the internal surface of a racetrack-type ceramic pipe by three different methods: radio-frequency sputtering, DC sputtering and DC magnetron sputtering. The deposition rates of TiN film under different coating methods were compared. The highest deposition rate was 156 nm/h, which was obtained by magnetron sputtering coating. Based on AFM, SEM and XPS test results, the properties of TiN film, such as film roughness and surface morphology, were analyzed. Furthermore, the deposition rates were studied with two different cathode types, Ti wires and Ti plate. According to the SEM test results, the deposition rate of TiN/Ti film was about 800 nm/h with Ti plate cathode by DC magnetron sputtering. Using Ti plate cathode rather than Ti wire cathode can greatly improve the film deposition rate. Supported by National Nature Science Foundation of China (11075157)

  6. Process for Making a Noble Metal on Tin Oxide Catalyst

    Science.gov (United States)

    Davis, Patricia; Miller, Irvin; Upchurch, Billy

    2010-01-01

    To produce a noble metal-on-metal oxide catalyst on an inert, high-surface-area support material (that functions as a catalyst at approximately room temperature using chloride-free reagents), for use in a carbon dioxide laser, requires two steps: First, a commercially available, inert, high-surface-area support material (silica spheres) is coated with a thin layer of metal oxide, a monolayer equivalent. Very beneficial results have been obtained using nitric acid as an oxidizing agent because it leaves no residue. It is also helpful if the spheres are first deaerated by boiling in water to allow the entire surface to be coated. A metal, such as tin, is then dissolved in the oxidizing agent/support material mixture to yield, in the case of tin, metastannic acid. Although tin has proven especially beneficial for use in a closed-cycle CO2 laser, in general any metal with two valence states, such as most transition metals and antimony, may be used. The metastannic acid will be adsorbed onto the high-surface-area spheres, coating them. Any excess oxidizing agent is then evaporated, and the resulting metastannic acid-coated spheres are dried and calcined, whereby the metastannic acid becomes tin(IV) oxide. The second step is accomplished by preparing an aqueous mixture of the tin(IV) oxide-coated spheres, and a soluble, chloride-free salt of at least one catalyst metal. The catalyst metal may be selected from the group consisting of platinum, palladium, ruthenium, gold, and rhodium, or other platinum group metals. Extremely beneficial results have been obtained using chloride-free salts of platinum, palladium, or a combination thereof, such as tetraammineplatinum (II) hydroxide ([Pt(NH3)4] (OH)2), or tetraammine palladium nitrate ([Pd(NH3)4](NO3)2).

  7. Adhesion Strength of TiN Coatings at Various Ion Etching Deposited on Tool Steels Using Cathodic Arc Pvd Technique

    Science.gov (United States)

    Ali, Mubarak; Hamzah, Esah; Ali, Nouman

    Titanium nitride (TiN) widely used as hard coating material was coated on tool steels, namely on high-speed steel (HSS) and D2 tool steel by physical vapor deposition method. The goal of this study was to examine the effect of ion etching with and without titanium (Ti) and chromium (Cr) on the adhesion strength of TiN coatings deposited on tool steels. From the scratch tester, it was observed that by increasing Ti ion etching showed an increase in adhesion strength of the deposited coatings. The coatings deposited with Cr ion etching showed poor adhesion compared with the coatings deposited with Ti ion etching. Scratch test measurements showed that the coating deposited with titanium ion etching for 16 min is the most stable coating and maintained even at the critical load of 66 N. The curve obtained via penetration depth along the scratch trace is linear in the case of HSS, whereas is slightly flexible in the case of D2 tool steel. The coatings deposited on HSS exhibit better adhesion compared with those on D2 tool steel.

  8. Analytic robust stability analysis of SVD orbit feedback

    CERN Document Server

    Pfingstner, Jürgen

    2012-01-01

    Orbit feedback controllers are indispensable for the operation of modern particle accelerators. Many such controllers are based on the decoupling of the inputs and outputs of the system to be controlled with the help of the singular value decomposition (SVD controller). It is crucial to verify the stability of SVD controllers, also in the presence of mismatches between the used accelerator model and the real machine (robust stability problem). In this paper, analytical criteria for guaranteed stability margins of SVD orbit feedback systems for three different types of model mismatches are presented: scaling errors of actuators and BPMs (beam position monitors) and additive errors of the orbit response matrix. For the derivation of these criteria, techniques from robust control theory have been used, e.g the small gain theorem. The obtained criteria can be easily applied directly to other SVD orbit feedback systems. As an example, the criteria were applied to the orbit feedback system of the Compact Linear ...

  9. Gap enhancement in phonon-irradiated superconducting tin films

    International Nuclear Information System (INIS)

    Miller, N.D.; Rutledge, J.E.

    1982-01-01

    We have measured the current-voltage (I-V) characteristics of tin-tin tunnel junctions driven out of equilibrium by a flux of near-thermal phonons from a heater. The reduced ambient temperature was T/T/sub c/ = 0.41. The nonequilibrium I-V curves are compared to equilibrium thermal I-V curves at an elevated temperature chosen to match the total number of quasiparticles. The nonequilibrium curves show a smaller current near zero bias and a larger gap than the thermal curves. This is the first experimental evidence of phonon-induced gap enhancement far below T/sub c/. The results are discussed in terms of the coupled kinetic equations of Chang and Scalapino

  10. TDPAC characterization of tin oxides using 181Ta

    International Nuclear Information System (INIS)

    Moreno, M.S.; Desimoni, J.; Requejo, F.G.; Renteria, M.; Bibiloni, A.G.

    1991-01-01

    In connection with a general study of the evolution of tin-oxygen thin films, we report here on the hyperfine interactions of 181 Ta substitutionally replacing tin in the isolated phases SnO and SnO 2 . For this purpose, pure SnO pressed powder and a thin SnO 2 film were implanted with 181 Hf. In both cases, unique quadrupole frequencies were found after thermal annealing treatments. The results indicate that the following hyperfine parameters: ν Q =740.6(2.1) MHz, η=0.07(2) and ν Q =971.5(1.9) MHz, η=0.72(1) characterize 181 Ta and SnO and SnO 2 , respectively. (orig.)

  11. Moessbauer and NMR study of novel Tin(IV)-lactames

    Energy Technology Data Exchange (ETDEWEB)

    Kuzmann, Erno; Szalay, Roland; Homonnay, Zoltan, E-mail: homonnay@ludens.elte.hu; Nagy, Sandor [Eoetvoes Lorand University, Institute of Chemistry (Hungary)

    2012-03-15

    N-tributylstannylated 2-pyrrolidinone was reacted with tributyltin triflate in different molar ratios and the complex formation monitored using {sup 1}H-NMR, {sup 13}C-NMR and {sup 119}Sn Moessbauer spectroscopy. Comparing the carbon NMR and tin Moessbauer results, a reaction scheme is suggested for the complexation which assumes the formation of a simultaneously O- and N-tributylstannylated pyrrolidinone cation. The formation of the only O-stannylated pyrrolidinone is also assumed to account for the non-constant Moessbauer parameters of the two tin environments in the distannylated pyrrolidinone cation when the ratio of tributyltin triflate is increased in the reaction.

  12. Comparative Analysis of Data Structures for Storing Massive Tins in a Dbms

    Science.gov (United States)

    Kumar, K.; Ledoux, H.; Stoter, J.

    2016-06-01

    Point cloud data are an important source for 3D geoinformation. Modern day 3D data acquisition and processing techniques such as airborne laser scanning and multi-beam echosounding generate billions of 3D points for simply an area of few square kilometers. With the size of the point clouds exceeding the billion mark for even a small area, there is a need for their efficient storage and management. These point clouds are sometimes associated with attributes and constraints as well. Storing billions of 3D points is currently possible which is confirmed by the initial implementations in Oracle Spatial SDO PC and the PostgreSQL Point Cloud extension. But to be able to analyse and extract useful information from point clouds, we need more than just points i.e. we require the surface defined by these points in space. There are different ways to represent surfaces in GIS including grids, TINs, boundary representations, etc. In this study, we investigate the database solutions for the storage and management of massive TINs. The classical (face and edge based) and compact (star based) data structures are discussed at length with reference to their structure, advantages and limitations in handling massive triangulations and are compared with the current solution of PostGIS Simple Feature. The main test dataset is the TIN generated from third national elevation model of the Netherlands (AHN3) with a point density of over 10 points/m2. PostgreSQL/PostGIS DBMS is used for storing the generated TIN. The data structures are tested with the generated TIN models to account for their geometry, topology, storage, indexing, and loading time in a database. Our study is useful in identifying what are the limitations of the existing data structures for storing massive TINs and what is required to optimise these structures for managing massive triangulations in a database.

  13. 21 CFR 189.301 - Tin-coated lead foil capsules for wine bottles.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Tin-coated lead foil capsules for wine bottles. 189... SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SUBSTANCES PROHIBITED FROM USE IN HUMAN FOOD... lead foil capsules for wine bottles. (a) Tin-coated lead foil is composed of a lead foil coated on one...

  14. Tin( ii ) ketoacidoximates: synthesis, X-ray structures and processing to tin( ii ) oxide

    KAUST Repository

    Khanderi, Jayaprakash

    2015-10-21

    Tin(ii) ketoacidoximates of the type [HONCRCOO]Sn (R = Me 1, CHPh 2) and (MeONCMeCOO)Sn] NH·2HO 3 were synthesized by reacting pyruvate- and hydroxyl- or methoxylamine RONH (R = H, Me) with tin(ii) chloride dihydrate SnCl·2HO. The single crystal X-ray structure reveals that the geometry at the Sn atom is trigonal bipyramidal in 1, 2 and trigonal pyramidal in 3. Inter- or intramolecular hydrogen bonding is observed in 1-3. Thermogravimetric (TG) analysis shows that the decomposition of 1-3 to SnO occurs at ca. 160 °C. The evolved gas analysis during TG indicates complete loss of the oximato ligand in one step for 1 whereas a small organic residue is additionally removed at temperatures >400 °C for 2. Above 140 °C, [HONC(Me)COO]Sn (1) decomposes in air to spherical SnO particles of size 10-500 nm. Spin coating of 1 on Si or a glass substrate followed by heating at 200 °C results in a uniform film of SnO. The band gap of the produced SnO film and nanomaterial was determined by diffuse reflectance spectroscopy to be in the range of 3.0-3.3 eV. X-ray photoelectron spectroscopy indicates surface oxidation of the SnO film to SnO in ambient atmosphere.

  15. Dealing with Uncertainties in Initial Orbit Determination

    Science.gov (United States)

    Armellin, Roberto; Di Lizia, Pierluigi; Zanetti, Renato

    2015-01-01

    A method to deal with uncertainties in initial orbit determination (IOD) is presented. This is based on the use of Taylor differential algebra (DA) to nonlinearly map the observation uncertainties from the observation space to the state space. When a minimum set of observations is available DA is used to expand the solution of the IOD problem in Taylor series with respect to measurement errors. When more observations are available high order inversion tools are exploited to obtain full state pseudo-observations at a common epoch. The mean and covariance of these pseudo-observations are nonlinearly computed by evaluating the expectation of high order Taylor polynomials. Finally, a linear scheme is employed to update the current knowledge of the orbit. Angles-only observations are considered and simplified Keplerian dynamics adopted to ease the explanation. Three test cases of orbit determination of artificial satellites in different orbital regimes are presented to discuss the feature and performances of the proposed methodology.

  16. Asteroid orbital error analysis: Theory and application

    Science.gov (United States)

    Muinonen, K.; Bowell, Edward

    1992-01-01

    We present a rigorous Bayesian theory for asteroid orbital error estimation in which the probability density of the orbital elements is derived from the noise statistics of the observations. For Gaussian noise in a linearized approximation the probability density is also Gaussian, and the errors of the orbital elements at a given epoch are fully described by the covariance matrix. The law of error propagation can then be applied to calculate past and future positional uncertainty ellipsoids (Cappellari et al. 1976, Yeomans et al. 1987, Whipple et al. 1991). To our knowledge, this is the first time a Bayesian approach has been formulated for orbital element estimation. In contrast to the classical Fisherian school of statistics, the Bayesian school allows a priori information to be formally present in the final estimation. However, Bayesian estimation does give the same results as Fisherian estimation when no priori information is assumed (Lehtinen 1988, and reference therein).

  17. Nanostructured antistatic and antireflective thin films made of indium tin oxide and silica over-coat layer

    Science.gov (United States)

    Cho, Young-Sang; Hong, Jeong-Jin; Yang, Seung-Man; Choi, Chul-Jin

    2010-08-01

    Stable dispersion of colloidal indium tin oxide nanoparticles was prepared by using indium tin oxide nanopowder, organic solvent, and suitable dispersants through attrition process. Various comminution parameters during the attrition step were studied to optimize the process for the stable dispersion of indium tin oxide sol. The transparent and conductive films were fabricated on glass substrate using the indium tin oxide sol by spin coating process. To obtain antireflective function, partially hydrolyzed alkyl silicate was deposited as over-coat layer on the pre-fabricated indium tin oxide film by spin coating technique. This double-layered structure of the nanostructured film was characterized by measuring the surface resistance and reflectance spectrum in the visible wavelength region. The final film structure was enough to satisfy the TCO regulations for EMI shielding purposes.

  18. Determination of tin, chromium, cadmium and lead in canned fruits from the Czech market

    Directory of Open Access Journals (Sweden)

    Pavel Diviš

    2017-01-01

    Full Text Available The global production of metal cans is more than 300 billion cans. Benefits of metal packaging consist mainly from the great strenght, excellent barrier properties and good thermal conductivity. The main problem of used metal packaging are the corrosion processes. The corrosion of metal container causes dissolution of tin which is used as a protective layer of the steel shell of the can and other metallic elements used in the manufacture of cans. In this work 31 samples of canned fruit was analysed and the concentration of tin, chromium, cadmium and lead was determined in fruit and in syrup using ICP-OES and ICP-MS techniques. The results showed no difference between the concentration of analysed elements in fruit and in syrup. In none of the analyzed samples the permitted maximum concentration of tin 200 mg.kg-1 was exceeded. Maximum concentration of tin was measured in canned grepfruit (59.8 ±1.9 mg.kg-1. The age of cans had no significant effect on the concentration of tin in canned fruit. The concentration of tin in fruit packaged in cans with protective layer of lacquer was significantly lower than the concentration of tin in fruit packaged in cans without protective layer of lacquer. Concentration of chromium, cadmium and lead in the analysed samples was very low at the natural levels of occurrence of these metals in fruit and it was impossible to determine unequivocally that the measured concentrations of these metals in canned fruit originate from the corrosion of can. The corrosion of the tinplate was studied using scanning electron microscopy with an energy dispersive spectrometer. By analyzing the SEM pictures and EDS spectra, critical areas of tin plate corrosion were observed. Based on the measured results it can be concluded that the consumption of fresh canned fruit is not a major problem for the inhabitants of the Czech Republic in terms of intake of potentially hazardous metals.

  19. Partial oxidation of TiN coating by hydrothermal treatment and ozone treatment to improve its osteoconductivity

    International Nuclear Information System (INIS)

    Shi, Xingling; Xu, Lingli; Le, Thi Bang; Zhou, Guanghong; Zheng, Chuanbo; Tsuru, Kanji; Ishikawa, Kunio

    2016-01-01

    Dental implants made of pure titanium suffer from abrasion and scratch during routine oral hygiene procedures. This results in an irreversible surface damage, facilitates bacteria adhesion and increases risk of peri-implantitis. To overcome these problems, titanium nitride (TiN) coating was introduced to increase surface hardness of pure titanium. However, the osteoconductivity of TiN is considered to be similar or superior to that of titanium and its alloys and therefore surface modification is necessary. In this study, TiN coating prepared through gas nitriding was partially oxidized by hydrothermal (HT) treatment and ozone (O 3 ) treatment in pure water to improve its osteoconductivity. The effects of HT treatment and O 3 treatment on surface properties of TiN were investigated and the osteoconductivity after undergoing treatment was assessed in vitro using osteoblast evaluation. The results showed that the critical temperature for HT treatment was 100 °C since higher temperatures would impair the hardness of TiN coating. By contrast, O 3 treatment was more effective in oxidizing TiN surfaces, improving its wettability while preserving its morphology and hardness. Osteoblast attachment, proliferation, alkaline phosphatase (ALP) expression and mineralization were improved on oxidized specimens, especially on O 3 treated specimens, compared with untreated ones. These effects seemed to be consequences of partial oxidation, as well as improved hydrophilicity and surface decontamination. Finally, it was concluded that, partially oxidized TiN is a promising coating to be used for dental implant. - Highlights: • TiN coating surface was oxidized by hydrothermal or ozone treatment while preserving its hardness. • Improved wettability, decontamination and interstitial N promoted osteoblast responses. • Partial oxidation makes TiN a promising coating for dental implant with good osteoconductivity.

  20. Partial oxidation of TiN coating by hydrothermal treatment and ozone treatment to improve its osteoconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Xingling [School of Material Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003 (China); Department of Biomaterials, Faculty of Dental Science, Kyushu University, Fukuoka 812-8582 (Japan); Jiangsu Provincial Key Laboratory for Interventional Medical Devices, Huaiyin Institute of Technology, Huaian 223003 (China); Xu, Lingli, E-mail: linly311@163.com [School of Material Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003 (China); Le, Thi Bang [Department of Mechanical Engineering, University of Malaya, 50603 Kuala Lumpur (Malaysia); Zhou, Guanghong [Jiangsu Provincial Key Laboratory for Interventional Medical Devices, Huaiyin Institute of Technology, Huaian 223003 (China); Zheng, Chuanbo, E-mail: zjust316@163.com [School of Material Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003 (China); Tsuru, Kanji; Ishikawa, Kunio [Department of Biomaterials, Faculty of Dental Science, Kyushu University, Fukuoka 812-8582 (Japan)

    2016-02-01

    Dental implants made of pure titanium suffer from abrasion and scratch during routine oral hygiene procedures. This results in an irreversible surface damage, facilitates bacteria adhesion and increases risk of peri-implantitis. To overcome these problems, titanium nitride (TiN) coating was introduced to increase surface hardness of pure titanium. However, the osteoconductivity of TiN is considered to be similar or superior to that of titanium and its alloys and therefore surface modification is necessary. In this study, TiN coating prepared through gas nitriding was partially oxidized by hydrothermal (HT) treatment and ozone (O{sub 3}) treatment in pure water to improve its osteoconductivity. The effects of HT treatment and O{sub 3} treatment on surface properties of TiN were investigated and the osteoconductivity after undergoing treatment was assessed in vitro using osteoblast evaluation. The results showed that the critical temperature for HT treatment was 100 °C since higher temperatures would impair the hardness of TiN coating. By contrast, O{sub 3} treatment was more effective in oxidizing TiN surfaces, improving its wettability while preserving its morphology and hardness. Osteoblast attachment, proliferation, alkaline phosphatase (ALP) expression and mineralization were improved on oxidized specimens, especially on O{sub 3} treated specimens, compared with untreated ones. These effects seemed to be consequences of partial oxidation, as well as improved hydrophilicity and surface decontamination. Finally, it was concluded that, partially oxidized TiN is a promising coating to be used for dental implant. - Highlights: • TiN coating surface was oxidized by hydrothermal or ozone treatment while preserving its hardness. • Improved wettability, decontamination and interstitial N promoted osteoblast responses. • Partial oxidation makes TiN a promising coating for dental implant with good osteoconductivity.

  1. Obtainment of SnO2 for utilization of sensors by coprecipitation of tin salts

    International Nuclear Information System (INIS)

    Masetto, S.R.; Longo, E.

    1990-01-01

    Niobia doped tin dioxide was prepared by precipitation of tin dioxide II and IV using ammonium hydroxide. The powders were characterized by X-ray diffraction, particle size distribution and infra-red spectroscopy. (author) [pt

  2. Atomic-layer chemical-vapor-deposition of TiN thin films on Si(100) and Si(111)

    CERN Document Server

    Kim, Y S; Kim, Y D; Kim, W M

    2000-01-01

    An atomic-layer chemical vapor deposition (AL-CVD) system was used to deposit TiN thin films on Si(100) and Si(111) substrates by cyclic exposures of TiCl sub 4 and NH sub 3. The growth rate was measured by using the number of deposition cycles, and the physical properties were compared with those of TiN films grown by using conventional deposition methods. To investigate the growth mechanism, we suggest a growth model for TiN n order to calculate the growth rate per cycle with a Cerius program. The results of the calculation with the model were compared with the experimental values for the TiN film deposited using the AL-CVD method. The stoichiometry of the TiN film was examined by using Auger electron spectroscopy, and the chlorine and the oxygen impurities were examined. The x-ray diffraction and the transmission electron microscopy results for the TiN film exhibited a strong (200) peak and a randomly oriented columnar microstructure. The electrical resistivity was found to decrease with increasing deposit...

  3. The effect of tin sulfide quantum dots size on photocatalytic and photovoltaic performance

    Energy Technology Data Exchange (ETDEWEB)

    Cheraghizade, Mohsen [Young Researchers and Elite Club, Ahvaz Branch, Islamic Azad University, Ahvaz (Iran, Islamic Republic of); Jamali-Sheini, Farid, E-mail: faridjamali@iauahvaz.ac.ir [Advanced Surface Engineering and Nano Materials Research Center, Department of Physics, Ahvaz Branch, Islamic Azad University, Ahvaz (Iran, Islamic Republic of); Yousefi, Ramin [Department of Physics, Masjed-Soleiman Branch, Islamic Azad University (I.A.U), Masjed-Soleiman (Iran, Islamic Republic of); Niknia, Farhad [Young Researchers and Elite Club, Ahvaz Branch, Islamic Azad University, Ahvaz (Iran, Islamic Republic of); Mahmoudian, Mohammad Reza [Department of Chemistry, Shahid Sherafat, University of Farhangian, 15916, Tehran (Iran, Islamic Republic of); Sookhakian, Mehran [Centre for Ionic Liquids, Department of Chemistry, Faculty of Science, University of Malaya, Kuala Lumpur 50603 (Malaysia)

    2017-07-01

    In the current study, tin sulfide Quantum Dots (QDs) was successfully synthesized through sonochemical synthesis method by applying sonication times of 10, 15, and 20 min. Structural studies showed an orthorhombic phase of SnS and Sn{sub 2}S{sub 3}, and hexagonal phase of SnS{sub 2}. The particle size of tin sulfide QDs prepared through sonication time of 20 min was smaller than other QDs. According to TEM images, an increase in sonication time resulted in smaller spherical shaped particles. According to the results of Raman studies, five Raman bands and a shift towards the lower frequencies were observed by enhancing the sonication time. Based on the outcomes of photocatalytic activity, higher this property was observed for tin sulfide QDs, which are prepared through longer sonication time. Solar cell devices manufactured using tin sulfide QDs have a greater performance for the samples with more sonication time. Considering the obtained outcomes, the sonication time seems probable to be a factor affecting synthesis process of SnS QDs as well as its optical and electrical, photocatalytic, and photovoltaic conversion features. - Highlights: • Tin sulfide quantum dots (QDs) synthesized using a sonication method. • The sonication time was selected as a synthesis parameter. • The photocatalytic and photovoltaic performance were depended on synthesis parameter.

  4. The effect of tin sulfide quantum dots size on photocatalytic and photovoltaic performance

    International Nuclear Information System (INIS)

    Cheraghizade, Mohsen; Jamali-Sheini, Farid; Yousefi, Ramin; Niknia, Farhad; Mahmoudian, Mohammad Reza; Sookhakian, Mehran

    2017-01-01

    In the current study, tin sulfide Quantum Dots (QDs) was successfully synthesized through sonochemical synthesis method by applying sonication times of 10, 15, and 20 min. Structural studies showed an orthorhombic phase of SnS and Sn_2S_3, and hexagonal phase of SnS_2. The particle size of tin sulfide QDs prepared through sonication time of 20 min was smaller than other QDs. According to TEM images, an increase in sonication time resulted in smaller spherical shaped particles. According to the results of Raman studies, five Raman bands and a shift towards the lower frequencies were observed by enhancing the sonication time. Based on the outcomes of photocatalytic activity, higher this property was observed for tin sulfide QDs, which are prepared through longer sonication time. Solar cell devices manufactured using tin sulfide QDs have a greater performance for the samples with more sonication time. Considering the obtained outcomes, the sonication time seems probable to be a factor affecting synthesis process of SnS QDs as well as its optical and electrical, photocatalytic, and photovoltaic conversion features. - Highlights: • Tin sulfide quantum dots (QDs) synthesized using a sonication method. • The sonication time was selected as a synthesis parameter. • The photocatalytic and photovoltaic performance were depended on synthesis parameter.

  5. Developing an Empirical Model for Estimating the Probability of Electrical Short Circuits from Tin Whiskers. Part 2

    Science.gov (United States)

    Courey, Karim J.; Asfour, Shihab S.; Onar, Arzu; Bayliss, Jon A.; Ludwig, Larry L.; Wright, Maria C.

    2009-01-01

    To comply with lead-free legislation, many manufacturers have converted from tin-lead to pure tin finishes of electronic components. However, pure tin finishes have a greater propensity to grow tin whiskers than tin-lead finishes. Since tin whiskers present an electrical short circuit hazard in electronic components, simulations have been developed to quantify the risk of said short circuits occurring. Existing risk simulations make the assumption that when a free tin whisker has bridged two adjacent exposed electrical conductors, the result is an electrical short circuit. This conservative assumption is made because shorting is a random event that had an unknown probability associated with it. Note however that due to contact resistance electrical shorts may not occur at lower voltage levels. In our first article we developed an empirical probability model for tin whisker shorting. In this paper, we develop a more comprehensive empirical model using a refined experiment with a larger sample size, in which we studied the effect of varying voltage on the breakdown of the contact resistance which leads to a short circuit. From the resulting data we estimated the probability distribution of an electrical short, as a function of voltage. In addition, the unexpected polycrystalline structure seen in the focused ion beam (FIB) cross section in the first experiment was confirmed in this experiment using transmission electron microscopy (TEM). The FIB was also used to cross section two card guides to facilitate the measurement of the grain size of each card guide's tin plating to determine its finish.

  6. Cellular solutions for the Poisson equation in extended systems

    International Nuclear Information System (INIS)

    Zhang, X.; Butler, W.H.; MacLaren, J.M.; van Ek, J.

    1994-01-01

    The Poisson equation for the electrostatic potential in a solid is solved using three different cellular techniques. The relative merits of these different approaches are discussed for two test charge densities for which an analytic solution to the Poisson equation is known. The first approach uses full-cell multiple-scattering theory and results in the famililar structure constant and multipole moment expansion. This solution is shown to be valid everywhere inside the cell, although for points outside the muffin-tin sphere but inside the cell the sums must be performed in the correct order to yield meaningful results. A modification of the multiple-scattering-theory approach yields a second method, a Green-function cellular method, which only requires the solution of a nearest-neighbor linear system of equations. A third approach, a related variational cellular method, is also derived. The variational cellular approach is shown to be the most accurate and reliable, and to have the best convergence in angular momentum of the three methods. Coulomb energies accurate to within 10 -6 hartree are easily achieved with the variational cellular approach, demonstrating the practicality of the approach in electronic structure calculations

  7. Hydrothermal treatment for TiN as abrasion resistant dental implant coating and its fibroblast response

    International Nuclear Information System (INIS)

    Shi, Xingling; Xu, Lingli; Munar, Melvin L.; Ishikawa, Kunio

    2015-01-01

    Dental implant made of pure titanium (Ti) is prone to scratch and abrasion during routine oral hygiene procedures. This results an increase in surface roughness and therefore, facilitates the adhesion of bacteria. In severe cases, this could lead to peri-implantitis. To overcome this problem, surface modification of Ti is necessary to improve its abrasion resistance. Besides, a strong implant–gingiva interface should also be guaranteed to prevent the adhesion of bacteria. In this study, titanium nitride (TiN) coating was first prepared with gas nitriding to increase surface hardness of pure the substrate. Then, the TiN was hydrothermally treated in CaCl 2 solution in order to improve its soft tissue biocompatibility. The effect of hydrothermal treatment temperature on surface properties of TiN was investigated and its biocompatibility was assessed in vitro using NIH3T3 fibroblast cell. It was determined that 120 °C was the critical temperature for the hydrothermal treatment condition. Treatment below 120 °C could incorporate Ca into TiN surface, oxidize TiN surface partially and then improve the wettability while preserving its morphology and hardness. Fibroblast cell attachment and proliferation were improved and cell spreading was enhanced on hydrothermally treated specimens compared with untreated ones. Improved wettability, Ca incorporation and negative surface due to interstitial N were believed to be the main reasons. Hydrothermal treatment is expected to make TiN a promising dental implant coating with excellent abrasion resistance and good soft tissue affinity. - Highlights: • Ca was incorporated into TiN surface while not sacrificing its hardness. • Interstitial N due to oxidation promoted Ca adsorption and cell adhesion. • Hydrothermal treatment makes TiN a promising coating for dental implant

  8. Hydrothermal treatment for TiN as abrasion resistant dental implant coating and its fibroblast response

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Xingling, E-mail: shixingling1985@hotmail.com [School of Material Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003 (China); Department of Biomaterials, Faculty of Dental Science, Kyushu University, Fukuoka 812-8582 (Japan); Jiangsu Provincial Key Laboratory for Interventional Medical Devices, Huaiyin Institute of Technology, Huaian 223003 (China); Xu, Lingli [School of Material Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003 (China); Munar, Melvin L.; Ishikawa, Kunio [Department of Biomaterials, Faculty of Dental Science, Kyushu University, Fukuoka 812-8582 (Japan)

    2015-04-01

    Dental implant made of pure titanium (Ti) is prone to scratch and abrasion during routine oral hygiene procedures. This results an increase in surface roughness and therefore, facilitates the adhesion of bacteria. In severe cases, this could lead to peri-implantitis. To overcome this problem, surface modification of Ti is necessary to improve its abrasion resistance. Besides, a strong implant–gingiva interface should also be guaranteed to prevent the adhesion of bacteria. In this study, titanium nitride (TiN) coating was first prepared with gas nitriding to increase surface hardness of pure the substrate. Then, the TiN was hydrothermally treated in CaCl{sub 2} solution in order to improve its soft tissue biocompatibility. The effect of hydrothermal treatment temperature on surface properties of TiN was investigated and its biocompatibility was assessed in vitro using NIH3T3 fibroblast cell. It was determined that 120 °C was the critical temperature for the hydrothermal treatment condition. Treatment below 120 °C could incorporate Ca into TiN surface, oxidize TiN surface partially and then improve the wettability while preserving its morphology and hardness. Fibroblast cell attachment and proliferation were improved and cell spreading was enhanced on hydrothermally treated specimens compared with untreated ones. Improved wettability, Ca incorporation and negative surface due to interstitial N were believed to be the main reasons. Hydrothermal treatment is expected to make TiN a promising dental implant coating with excellent abrasion resistance and good soft tissue affinity. - Highlights: • Ca was incorporated into TiN surface while not sacrificing its hardness. • Interstitial N due to oxidation promoted Ca adsorption and cell adhesion. • Hydrothermal treatment makes TiN a promising coating for dental implant.

  9. In-Situ Growth and Characterization of Indium Tin Oxide Nanocrystal Rods

    Directory of Open Access Journals (Sweden)

    Yan Shen

    2017-11-01

    Full Text Available Indium tin oxide (ITO nanocrystal rods were synthesized in-situ by a vapor-liquid-solid (VLS method and electron beam evaporation technique. When the electron-beam gun bombarded indium oxide (In2O3 and tin oxide (SnO2 mixed sources, indium and tin droplets appeared and acted as catalysts. The nanocrystal rods were in-situ grown on the basis of the metal catalyst point. The nanorods have a single crystal structure. Its structure was confirmed by X-ray diffraction (XRD and transmission electron microscopy (TEM. The surface morphology was analyzed by scanning electron microscopy (SEM. During the evaporation, a chemical process was happened and an In2O3 and SnO2 solid solution was formed. The percentage of doped tin oxide was calculated by Vegard’s law to be 3.18%, which was in agreement with the mixture ratio of the experimental data. The single crystal rod had good semiconductor switch property and its threshold voltage of single rod was approximately 2.5 V which can be used as a micro switch device. The transmission rate of crystalline nanorods ITO film was over 90% in visible band and it was up to 95% in the blue green band as a result of the oxygen vacancy recombination luminescence.

  10. Effect of gas ratio on tribological properties of sputter deposited TiN coatings

    Energy Technology Data Exchange (ETDEWEB)

    Chavda, Mahesh R., E-mail: maheshchavda1990@gmail.com [Department of Mechanical Engineering, Dr. Jivraj Mehta Institute of Technology, Mogar-388340 (India); Chauhan, Kamlesh V.; Rawal, Sushant K., E-mail: sushantrawal.me@charusat.ac.in [CHAMOS Matrusanstha Department of Mechanical Engineering, Chandubhai S. Patel Institute of Technology, Charotar University of Science and Technology (CHARUSAT), Changa-388421 (India)

    2016-05-06

    Titanium nitride (TiN) coatings were deposited on Si, corning glass, pins of mild steel (MS, ϕ3mm), aluminium (Al, ϕ4mm) and brass (ϕ6mm) substratesby DC magnetron sputtering. The argon and nitrogen (Ar:N{sub 2})gas ratio was precisely controlled by Mass Flow Controller (MFC) and was varied systematically at diffract values of 10:10,12:08, 16:04 and 18:02sccm. The structural properties of TiN coatings were characterized by X-ray diffraction (XRD) and its surface topography was studied using field emission scanning electron microscopy (FE-SEM). The tribological properties of TiN coatings were investigated using pin-on-disc tribometer.

  11. Determination of trace amounts of tin in geological materials by atomic absorption spectrometry

    Science.gov (United States)

    Welsch, E.P.; Chao, T.T.

    1976-01-01

    An atomic absorption method is described for the determination of traces of tin in rocks, soils, and stream sediments. A dried mixture of the sample and ammonium iodide is heated to volatilize tin tetraiodide -which is then dissolved in 5 % hydrochloric acid, extracted into TOPO-MIBK, and aspirated into a nitrous oxide-acetylene flame. The limit of determination is 2 p.p.m. tin and the relative standard deviation ranges from 2 to 14 %. Up to 20 % iron and 1000 p.p.m. Cu, Pb, Zn, Mn, Hg, Mo, V, or W in the sample do not interfere. As many as 50 samples can be easily analyzed per man-day. ?? 1976.

  12. Sputtered tin oxide and titanium oxide thin films as alternative transparent conductive oxides

    Energy Technology Data Exchange (ETDEWEB)

    Boltz, Janika

    2011-12-12

    Alternative transparent conductive oxides to tin doped indium oxide have been investigated. In this work, antimony doped tin oxide and niobium doped titanium oxide have been studied with the aim to prepare transparent and conductive films. Antimony doped tin oxide and niobium doped titanium oxide belong to different groups of oxides; tin oxide is a soft oxide, while titanium oxide is a hard oxide. Both oxides are isolating materials, in case the stoichiometry is SnO{sub 2} and TiO{sub 2}. In order to achieve transparent and conductive films free carriers have to be generated by oxygen vacancies, by metal ions at interstitial positions in the crystal lattice or by cation doping with Sb or Nb, respectively. Antimony doped tin oxide and niobium doped titanium oxide films have been prepared by reactive direct current magnetron sputtering (dc MS) from metallic targets. The process parameters and the doping concentration in the films have been varied. The films have been electrically, optically and structurally analysed in order to analyse the influence of the process parameters and the doping concentration on the film properties. Post-deposition treatments of the films have been performed in order to improve the film properties. For the deposition of transparent and conductive tin oxide, the dominant parameter during the deposition is the oxygen content in the sputtering gas. The Sb incorporation as doping atoms has a minor influence on the electrical, optical and structural properties. Within a narrow oxygen content in the sputtering gas highly transparent and conductive tin oxide films have been prepared. In this study, the lowest resistivity in the as deposited state is 2.9 m{omega} cm for undoped tin oxide without any postdeposition treatment. The minimum resistivity is related to a transition to crystalline films with the stoichiometry of SnO{sub 2}. At higher oxygen content the films turn out to have a higher resistivity due to an oxygen excess. After post

  13. Sources and historical record of tin and butyl-tin species in a Mediterranean bay (Toulon Bay, France).

    Science.gov (United States)

    Pougnet, Frédérique; Schäfer, Jörg; Dutruch, Lionel; Garnier, Cédric; Tessier, Erwan; Dang, Duc Huy; Lanceleur, Laurent; Mullot, Jean-Ulrich; Lenoble, Véronique; Blanc, Gérard

    2014-05-01

    Concentrations of inorganic tin (Sn(inorg)), tributyltin (TBT) and its degradation products dibutyltin (DBT) and monobutyltin (MBT) were measured in surface sediments and in two cores from the Toulon Bay, hosting the major French military harbour. Anticipating planned dredging, the aim of the present work is to map and evaluate for the first time the recent and historic contamination of these sediments by inorganic and organic Sn species derived from antifouling paints used for various naval domains including military, trade, tourism and leisure. Tin and butyl-Sn concentrations in the bay varied strongly (4 orders of magnitude), depending on the site, showing maximum values near the shipyards. The concentrations of total Sn (1.3-112 μg g(-1)), TBT (product Sn(inorgBT) is by far the dominant species after 10-12 half-life periods and (c) using recent data to reliably assess former TBT contamination requires the use of a modified butyl-Sn degradation index BDI(mod). Resuspension of extremely contaminated subsurface sediments by the scheduled dredging will probably result in mobilization of important amounts of butyl-Sn species.

  14. Neural network technique for orbit correction in accelerators/storage rings

    International Nuclear Information System (INIS)

    Bozoki, E.; Friedman, A.

    1995-01-01

    The authors are exploring the use of Neural Networks, using the SNNS simulator, for orbit control in accelerators (primarily circular accelerators) and storage rings. The orbit of the beam in those machines are measured by orbit monitors (input nodes) and controlled by orbit corrector magnets (output nodes). The physical behavior of an accelerator is changing slowly in time. Thus, an adoptive algorithm is necessary. The goal is to have a trained net which will predict the exact corrector strengths which will minimize a measured orbit. The relationship between open-quotes kickclose quotes from the correctors and open-quotes responseclose quotes from the monitors is in general non-linear and may slowly change during long-term operation of the machine. In the study, several network architectures are examined as well as various training methods for each architecture

  15. Third-generation muffin–tin orbitals

    Indian Academy of Sciences (India)

    Unknown

    years, several MTO-based methods have been developed. The ultimate aim is to ..... of the bare KKR structure matrix, which specifies how the spherical wave .... tight-binding models or project onto the occupied states during the course of a ...

  16. Recovery of Tin and Nitric Acid from Spent Solder Stripping Solutions

    International Nuclear Information System (INIS)

    Ahn, Jae-Woo; Ryu, Seong-Hyung; Kim, Tae-young

    2015-01-01

    Spent solder-stripping solutions containing tin, copper, iron, and lead in nitric acid solution, are by-products of the manufacture of printed-circuit boards. The recovery of these metals and the nitric acid, for re-use has economic and environmental benefits. In the spent solder-stripping solution, a systematic method to determine a suitable process for recovery of valuable metals and nitric acid was developed. Initially, more than 90% of the tin was successfully recovered as high-purity SnO 2 by thermal precipitation at 80 ℃ for 3 hours. About 94% of the nitric acid was regenerated effectively from the spent solutions by diffusion dialysis, after which there remained copper, iron, and lead in solution. Leakage of tin through the anion-exchange membrane was the lowest (0.026%), whereas Pb-leakage was highest (4.26%). The concentration of the regenerated nitric acid was about 5.1 N.

  17. Radiochemical studies of the separation of some chloro-complexes of tin, antimony, cadmium and indium

    International Nuclear Information System (INIS)

    Ramamoorthy, N.; Mani, R.S.

    1976-01-01

    Radioisotopes of tin, antimony, cadmium and indium such as tin-113, antimony-124, antimony-125, cadmium-109, cadmium-115, indium-113m and indium-111 find extensive applications as tracers in various fields. These isotopes are produced by irradiation of targets in a reactor or a cyclotron. It is usually observed that in addition to the nuclear reactions giving rise to the desired isotopes, side reactions also take place giving rise to radionuclidic contaminants. Thus, antimony-125, indium-114m and indium-114 will be present in the cyclotron produced indium-111. The authors have studied column chromatography over hydrous zirconia for the separation of antimony from tin and indium, and cadmium from indium. These studies have thrown light on the role and behaviour of antimony-125 present as an impurity in tin-113 during the preparation of tin-113-indium-113m generators and have indicated methods for the preparation of 115 Cd-sup(115m)In generators and for separation of 111 In from proton irradiated cadmium targets. (Authors)

  18. Thermally evaporated mechanically hard tin oxide thin films for opto-electronic apllications

    Energy Technology Data Exchange (ETDEWEB)

    Tripathy, Sumanta K.; Rajeswari, V. P. [Centre for Nano Science and Technology, GVP College of Engineering (Autonomous), Visakhapatnam- 530048 (India)

    2014-01-28

    Tungsten doped tin oxide (WTO) and Molybdenum doped tin oxide (MoTO) thin film were deposited on corn glass by thermal evaporation method. The films were annealed at 350°C for one hour. Structural analysis using Xray diffraction data shows both the films are polycrystalline in nature with monoclinic structure of tin oxide, Sn{sub 3}O{sub 4}, corresponding to JCPDS card number 01-078-6064. SEM photograph showed that both the films have spherical grains with size in the range of 20–30 nm. Compositional analysis was carried out using EDS which reveals the presence of Sn, O and the dopant Mo/W only thereby indicating the absence of any secondary phase in the films. The films are found to contain nearly 6 wt% of Mo, 8 wt% of W as dopants respectively. The transmission pattern for both the films in the spectral range 200 – 2000 nm shows that W doping gives a transparency of nearly 80% from 380 nm onwards while Mo doping has less transparency of 39% at 380nm. Film hardness measurement using Triboscope shows a film hardness of about 9–10 GPa for both the films. It indicates that W or M doping in tin oxide provides the films the added advantage of withstanding the mechanical wear and tear due to environmental fluctuations By optimizing the optical and electrical properties, W/Mo doped tin oxide films may be explored as window layers in opto-electronic applications such as solar cells.

  19. Thermally evaporated mechanically hard tin oxide thin films for opto-electronic apllications

    International Nuclear Information System (INIS)

    Tripathy, Sumanta K.; Rajeswari, V. P.

    2014-01-01

    Tungsten doped tin oxide (WTO) and Molybdenum doped tin oxide (MoTO) thin film were deposited on corn glass by thermal evaporation method. The films were annealed at 350°C for one hour. Structural analysis using Xray diffraction data shows both the films are polycrystalline in nature with monoclinic structure of tin oxide, Sn 3 O 4 , corresponding to JCPDS card number 01-078-6064. SEM photograph showed that both the films have spherical grains with size in the range of 20–30 nm. Compositional analysis was carried out using EDS which reveals the presence of Sn, O and the dopant Mo/W only thereby indicating the absence of any secondary phase in the films. The films are found to contain nearly 6 wt% of Mo, 8 wt% of W as dopants respectively. The transmission pattern for both the films in the spectral range 200 – 2000 nm shows that W doping gives a transparency of nearly 80% from 380 nm onwards while Mo doping has less transparency of 39% at 380nm. Film hardness measurement using Triboscope shows a film hardness of about 9–10 GPa for both the films. It indicates that W or M doping in tin oxide provides the films the added advantage of withstanding the mechanical wear and tear due to environmental fluctuations By optimizing the optical and electrical properties, W/Mo doped tin oxide films may be explored as window layers in opto-electronic applications such as solar cells

  20. COMPARATIVE ANALYSIS OF DATA STRUCTURES FOR STORING MASSIVE TINS IN A DBMS

    Directory of Open Access Journals (Sweden)

    K. Kumar

    2016-06-01

    Full Text Available Point cloud data are an important source for 3D geoinformation. Modern day 3D data acquisition and processing techniques such as airborne laser scanning and multi-beam echosounding generate billions of 3D points for simply an area of few square kilometers. With the size of the point clouds exceeding the billion mark for even a small area, there is a need for their efficient storage and management. These point clouds are sometimes associated with attributes and constraints as well. Storing billions of 3D points is currently possible which is confirmed by the initial implementations in Oracle Spatial SDO PC and the PostgreSQL Point Cloud extension. But to be able to analyse and extract useful information from point clouds, we need more than just points i.e. we require the surface defined by these points in space. There are different ways to represent surfaces in GIS including grids, TINs, boundary representations, etc. In this study, we investigate the database solutions for the storage and management of massive TINs. The classical (face and edge based and compact (star based data structures are discussed at length with reference to their structure, advantages and limitations in handling massive triangulations and are compared with the current solution of PostGIS Simple Feature. The main test dataset is the TIN generated from third national elevation model of the Netherlands (AHN3 with a point density of over 10 points/m2. PostgreSQL/PostGIS DBMS is used for storing the generated TIN. The data structures are tested with the generated TIN models to account for their geometry, topology, storage, indexing, and loading time in a database. Our study is useful in identifying what are the limitations of the existing data structures for storing massive TINs and what is required to optimise these structures for managing massive triangulations in a database.

  1. Stress analysis and microstructure of PVD monolayer TiN and multilayer TiN/(Ti,Al)N coatings

    NARCIS (Netherlands)

    Carvalho, NJM; Zoestbergen, E; Kooi, BJ; De Hosson, JTM

    2003-01-01

    Two PVD titanium nitride based coatings; monolayer TiN and multilayer resulting from the stacking of TiN and (Ti,Al)N layers were evaluated with respect to their stress state and microstructure. The TiN was deposited by triode evaporation ion plating, whereas the TiN/(Ti,AI)N was deposited using a

  2. Reformulation of Business Strategies for Increasing Sales of TIN Product Stabilizer at PT Timah Industri

    OpenAIRE

    Sundoyo, Hadi; Hamsal, Mohammad

    2013-01-01

    PT. Timah Industri (PT TI) is a subsidiary of PT. Timah (Persero) Tbk which exploit comparative advantage of its parent company as the second largest tin producer in the world. With these advantages PT TI entered the downstream PVC stabilizer tin base. Starting from the difficulty of selling their products and then raised the question in inventory management. PT TI should immediately take strategic steps to save the tin chemical business continues to lose money from time to time. From the res...

  3. Schmidt-Kalman Filter with Polynomial Chaos Expansion for Orbit Determination of Space Objects

    Science.gov (United States)

    Yang, Y.; Cai, H.; Zhang, K.

    2016-09-01

    Parameter errors in orbital models can result in poor orbit determination (OD) using a traditional Kalman filter. One approach to account for these errors is to consider them in the so-called Schmidt-Kalman filter (SKF), by augmenting the state covariance matrix (CM) with additional parameter covariance rather than additively estimating these so-called "consider" parameters. This paper introduces a new SKF algorithm with polynomial chaos expansion (PCE-SKF). The PCE approach has been proved to be more efficient than Monte Carlo method for propagating the input uncertainties onto the system response without experiencing any constraints of linear dynamics, or Gaussian distributions of the uncertainty sources. The state and covariance needed in the orbit prediction step are propagated using PCE. An inclined geosynchronous orbit scenario is set up to test the proposed PCE-SKF based OD algorithm. The satellite orbit is propagated based on numerical integration, with the uncertain coefficient of solar radiation pressure considered. The PCE-SKF solutions are compared with extended Kalman filter (EKF), SKF and PCE-EKF (EKF with PCE) solutions. It is implied that the covariance propagation using PCE leads to more precise OD solutions in comparison with those based on linear propagation of covariance.

  4. Defects in TiN and HfN studied by helium thermal desorption spectrometry

    International Nuclear Information System (INIS)

    Hoondert, W.H.B.; Thijsse, B.J.; Beuckel, A. van den

    1994-01-01

    Point defects in sub-stoichiometric TiN 1-x and HfN 1-x were investigated by helium thermal desorption spectrometry (300-1800K) following He + ion implantation at energies up to 3000eV. It was found that the low energy spectra are dominated by helium dissociating from the structural vacancies on the nitrogen sublattice; the activation energy for dissociation is 2.2eV for TiN. Above a few hundred electron volts the ions begin to produce several other types of defects, from which helium dissociates with activation energies in the range 2.6-4.0eV. The identity of these defects is discussed. The results for the two nitrides were similar in many respects. The most significant difference observed is that in TiN low energy He + ions generate damage on the N sublattice of a type that is not observed for HfN. Activation energies for HfN are found to be consistently 0.7eV lower than for TiN. ((orig.))

  5. Magneto-optical Kerr spectroscopy of noble metals

    Science.gov (United States)

    Uba, L.; Uba, S.; Antonov, V. N.

    2017-12-01

    Magneto-optical (MO) response of the noble metals Cu, Ag, and Au in the joint experimental and ab initio theoretical study is reported. The magneto-optical polar Kerr effect (MOKE) spectra of the noble-metal films were measured with the high sensitivity in the applied magnetic field of 1.5 T over the photon energy range 0.74-5.8 eV. Complete set of the optical conductivity tensor elements was determined precisely from the MOKE and the optical spectra measured at the same energy points. The importance of the off-diagonal intraband Drude-type transitions is demonstrated explicitly for each noble metal and found to be a substantial contribution to the observed spectra. It is shown that the first-principles calculations using the spin-polarized fully relativistic Dirac linear-muffin-tin-orbital method with the inclusion of correlation effects by GGA+U approach reproduce well the experimental spectra and allow to explain the microscopic origin of the noble metals' magneto-optical response in terms of interband transitions. Although the energy band structures of Cu, Ag, and Au are very similar, there are some distinctive differences in bandwidths and the energy positions of the bands (especially in X and L symmetry points), mainly due to different spin-orbit splitting and differences in the spatial extent of 3 d , 4 d , and 5 d valence wave functions of noble metals. It was found that the small differences in the band positions lead to significant differences in the MO properties of three noble metals. Although the spin-orbit interaction in Au is about six times larger than in Cu, and approximately two times larger than in Ag, the absolute value of Kerr rotation in Au is of the same magnitude as in Cu and one order of magnitude smaller as compared to Ag. The sharp Kerr effect spectral peak in Ag is not due to the electronic interband transitions, but rather to the plasma-edge splitting. The band-by-band decomposition of the Cu, Ag, and Au MO spectra is presented and the

  6. Relative Stabilities and Reactivities of Isolated Versus Conjugated Alkenes: Reconciliation Via a Molecular Orbital Approach

    Science.gov (United States)

    Sotiriou-Leventis, Chariklia; Hanna, Samir B.; Leventis, Nicholas

    1996-04-01

    The well-accepted practice of generating a pair of molecular orbitals, one of lower energy and another of higher energy than the original pair of overlapping atomic orbitals, and the concept of a particle in a one-dimensional box are implemented in a simplified, nonmathematical method that explains the relative stabilities and reactivities of alkenes with conjugated versus isolated double bonds. In this method, Huckel-type MO's of higher polyenes are constructed by energy rules of linear combination of atomic orbitals. One additional rule is obeyed: bonding molecular orbitals overlap only with bonding molecular orbitals, and antibonding molecular orbitals overlap only with antibonding molecular orbitals.

  7. Separation of methyltin species from inorganic tin, and their interactions with humates in natural waters

    International Nuclear Information System (INIS)

    Omar, M.; Bowen, H.J.M.

    1982-01-01

    Tin(II) and tin(IV) are absorbed from aqueous solutions by Sephadex G-25 gel, from which they can be eluted by humates or fulvates, with which they interact more strongly. Methyltin species are not absorbed by Sephadex G-25, and so can be separated from inorganic tin. Both inorganic tin and methyltin species in natural waters at pH 7.4 can be quantitatively retained by passing through small columns of Chelex-100 resin: the methyltin species can then be washed off the resin with 4M nitric acid. Trimethyltin chloride 113 Sn in water scarcely interacts with fulvates, humates, kaolinite or montmorillonite but is absorbed by Sphagnum peat. Dimethyltin dichloride- 113 Sn reacts significantly with all the above materials after 2 hours equilibration. Methyltin trichloride- 113 Sn interacts weakly in alkaline solutions. (author)

  8. A visible light photoelectrochemical sensor for tumor marker detection using tin dioxide quantum dot-graphene as labels.

    Science.gov (United States)

    Wang, Yanhu; Li, Meng; Zhu, Yuanna; Ge, Shenguang; Yu, Jinghua; Yan, Mei; Song, Xianrang

    2013-12-07

    In this paper, a simple and sensitive sandwich-type photoelectrochemical (PEC) immunosensor for measurement of biomarkers on a gold nanoparticle-modified indium tin oxide (ITO) electrode through electrodeposition for point-of-care testing was developed by using a tin dioxide quantum dot-graphene nanocomposite (G-SnO2) as an excellent label with amplification techniques. The capture antibody (Ab1) was firstly immobilized on the gold nanoparticle-modified ITO electrode due to the covalent conjugation, then the antigen and the AuNP/PDDA-G-SnO2 nanocomposite nanoparticle labeled signal antibody (Ab2) were conjugated successively to form a sandwich-type immunocomplex through a specific interaction. Under irradiation with a common ultraviolet lamp (∼365 nm, price $50), the SnO2 NPs were excited and underwent charge-separation to yield electrons (e(-)) and holes (h(+)). As the holes were scavenged by ascorbic acid (AA), the electrons were transferred to the ITO electrode through RGO to generate a photocurrent. The photocurrents were proportional to the CEA concentrations, and the linear range of the developed immunosensor was from 0.005 to 10 ng mL(-1) with a detection limit of 0.036 pg mL(-1). The proposed sensor shows high sensitivity, stability, reproducibility, and can become a promising platform for other biomolecular detection.

  9. Modification of structure and properties of tin – fullerite films irradiated by boron ions

    International Nuclear Information System (INIS)

    Baran, L.V.

    2013-01-01

    By methods of raster electronic, atomic force and electronic force microscopy and X-ray diffraction the research of change of structure, phase composition and local electronic properties of the tin - fullerite films, subjected to implantation by B + ions (E = 80 keV, F = 5×10 17 ions/cm 2 ) are submitted. It is established, that as a result of boron ion implantation of two-layered tin - fullerite films, tin and fullerite interfusion on sues, that is the solid-phase interaction and as a result of which forms the heterophase with heterogeneous local electric properties. (authors)

  10. A facile way to control phase of tin selenide flakes by chemical vapor deposition

    Science.gov (United States)

    Wang, Zhigang; Pang, Fei

    2018-06-01

    Although two-dimensional (2D) tin selenides are attracting intense attentions, studies on its phase transition are still relatively few. Here we report a facile way to control the phase growth of tin selenide flakes on mica and SiO2/Si by only adjusting nominal Sn:Se ratio, which refers to the amount of loaded SnO2 and Se precursors. High normal Sn:Se ratio induced SnSe flakes, conversely SnSe2 flakes formed. It could be used as a practical guide to selectively synthesize pure phase of single crystalline 2D layered chalcogenide materials similar to tin selenides.

  11. 76 FR 58536 - Tin- and Chromium-Coated Steel Sheet From Japan; Notice of Commission Determination To Conduct a...

    Science.gov (United States)

    2011-09-21

    ... INTERNATIONAL TRADE COMMISSION [Investigation No. 731-TA-860 (Second Review)] Tin- and Chromium... Concerning the Antidumping Duty Order on Tin- and Chromium-Coated Steel Sheet From Japan AGENCY: United.... 1675(c)(5)) to determine whether revocation of the antidumping duty order on tin- and chromium-coated...

  12. Mössbauer and NMR study of novel Tin(IV)-lactames

    International Nuclear Information System (INIS)

    Kuzmann, Erno; Szalay, Roland; Homonnay, Zoltan; Nagy, Sandor

    2012-01-01

    N-tributylstannylated 2-pyrrolidinone was reacted with tributyltin triflate in different molar ratios and the complex formation monitored using 1 H-NMR, 13 C-NMR and 119 Sn Mössbauer spectroscopy. Comparing the carbon NMR and tin Mössbauer results, a reaction scheme is suggested for the complexation which assumes the formation of a simultaneously O- and N-tributylstannylated pyrrolidinone cation. The formation of the only O-stannylated pyrrolidinone is also assumed to account for the non-constant Mössbauer parameters of the two tin environments in the distannylated pyrrolidinone cation when the ratio of tributyltin triflate is increased in the reaction.

  13. Magnetoelectric Effect in Gallium Arsenide-Nickel-Tin-Nickel Multilayer Structures

    Science.gov (United States)

    Filippov, D. A.; Tikhonov, A. A.; Laletin, V. M.; Firsova, T. O.; Manicheva, I. N.

    2018-02-01

    Experimental data have been presented for the magnetoelectric effect in nickel-tin-nickel multilayer structures grown on a GaAs substrate by cathodic electrodeposition. The method of fabricating these structures has been described, and the frequency dependence of the effect has been demonstrated. It has been shown that tin used as an intermediate layer reduces mechanical stresses due to the phase mismatch at the Ni-GaAs interface and, thus, makes it possible to grow good structures with a 70-μm-thick Ni layer. The grown structures offer good adhesion between layers and a high Q factor.

  14. Tribaloy alloy reinforced tin-bronze composite coating for journal bearing applications

    International Nuclear Information System (INIS)

    Gao, F.; Liu, R.; Wu, X.J.

    2011-01-01

    This article presents an experimental study of the tribological behavior of a tin/bronze-based composite coating. The improved-ductility Tribaloy alloy (T-401) particles are selected as the reinforcement. This coating is made on the bushing of planet journals used in aerospace engines, deposited with the high velocity oxygen fuel (HVOF) thermal spray technique. The tribological properties such as friction and wear resistance of the coated bushing are investigated under the WAMsc3 Sliding Contact Test, along with the leaded tin/bronze bushing tested for comparison. The testing results show that the bushing coated with the composite exhibits superior tribological properties to the leaded tin/bronze bushing in that the former runs longer before the friction coefficient reaches 0.5 and also leads a to lower wear rate than the latter. The experimental results and wear mechanisms of these two bushings are discussed with the assistance of worn surface analyses using scanning electron microscopy (SEM).

  15. The electrochemical deposition of tin-nickel alloys and the corrosion properties of the coating

    DEFF Research Database (Denmark)

    Jellesen, Morten Stendahl; Møller, Per

    2005-01-01

    The electrodeposition of tin/nickel (65/35 wt%) is a unique coating process because of the deposition of an intermetallic phase of nickel and tin, which cannot be formed by any pyrometallurgical process. From thermodynamic calculations it can be shown that intermetallic phases can be formed throu...

  16. Evaluation on the characteristics of tin-silver-bismuth solder

    Science.gov (United States)

    Xia, Z.; Shi, Y.; Chen, Z.

    2002-02-01

    Tin-silver-bismuth solder is characterized by its lower melting point, good wetting behavior, and good mechanical property for which it is expected to be a new lead-free solder to replace tin-lead solder. In this article, Sn-3.33Ag-4.83Bi solder was investigated concerning its physical, spreading, and mechanical properties under specific conditions. Cooling curves and DSC results showed that it was close to eutectic composition (m.p. 210° 212 °C). Coefficiency of thermal expansion (CTE) of this solder, between that of PCBs and copper substrates, was beneficial to alleviate the thermal mismatch of the substrates. It was also a good electrical and thermal conductor. Using a rosin-based, mildly activated (RMA) flux, a spreading test indicated that SnAgBi solder paste had good solderability. Meanwhile, the solder had high tensile strength and fracture energy. Its fracture mechanism was a mixture of ductile and brittle fracture morphology. The metallographic and EDAX analyses indicated that it was composed of a tin-based solid solution and some intermetallic compound (IMC) that could strengthen the substrate. However, these large needle-like IMCs would cut the substrate and this resulted in the decreasing of the toughness of the solder.

  17. Electrochemistry behavior of endogenous thiols on fluorine doped tin oxide electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Rojas, Luciana; Molero, Leonard; Tapia, Ricardo A.; Rio, Rodrigo del; Valle, M. Angelica del; Antilen, Monica [Departamento de Quimica Inorganica, Facultad de Quimica, Pontificia Universidad Catolica de Chile, Av Vicuna Mackenna 4860, Casilla 306, Correo 22, Macul, Santiago (Chile); Armijo, Francisco, E-mail: jarmijom@uc.cl [Departamento de Quimica Inorganica, Facultad de Quimica, Pontificia Universidad Catolica de Chile, Av Vicuna Mackenna 4860, Casilla 306, Correo 22, Macul, Santiago (Chile)

    2011-10-01

    Highlights: > The first time that fluorine doped tin oxide electrodes are used for the electrooxidation of endogenous thiols. > Low potentials of electrooxidation were obtained for the different thiols. > The electrochemical behavior of thiols depends on the pH and the ionic electroactive species, the electrooxidation proceeds for a process of adsorption of electroactive species on FTO and high values the heterogeneous electron tranfer rate constant of the reaction were obtained. - Abstract: In this work the electrochemical behavior of different thiols on fluorine doped tin oxide (FTO) electrodes is reported. To this end, the mechanism of electrochemical oxidation of glutathione (GSH), cysteine (Cys), homocysteine (HCys) and acetyl-cysteine (ACys) at different pH was investigated. FTO showed electroactivity for the oxidation of the first three thiols at pH between 2.0 and 4.0, but under these conditions no acetyl-cysteine oxidation was observed on FTO. Voltammetric studies of the electro-oxidation of GSH, Cys and HCys showed peaks at about 0.35, 0.29, and 0.28 V at optimum pH 2.4, 2.8 and 3.4, respectively. In addition, this study demonstrated that GSH, Cys and HCys oxidation occurs when the zwitterion is the electro-active species that interact by adsorption on FTO electrodes. The overall reaction involves 4e{sup -}/4H{sup +} and 2e{sup -}/2H{sup +}, respectively, for HCys and for GSH and Cys and high heterogeneous electron transfer rate constants. Besides, the use of FTO for the determination of different thiols was evaluated. Experimental square wave voltammetry shows a linear current vs. concentrations response between 0.1 and 1.0 mM was found for HCys and GSH, indicating that these FTO electrodes are promising candidates for the efficient electrochemical determination of these endogenous thiols.

  18. First-principles analysis of structural and opto-electronic properties of indium tin oxide

    Science.gov (United States)

    Tripathi, Madhvendra Nath; Shida, Kazuhito; Sahara, Ryoji; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

    2012-05-01

    Density functional theory (DFT) and DFT + U (DFT with on-site Coulomb repulsion corrections) calculations have been carried out to study the structural and opto-electronic properties of indium tin oxide (ITO) for both the oxidized and reduced environment conditions. Some of the results obtained by DFT calculations differ from the experimental observations, such as uncertain indication for the site preference of tin atom to replace indium atom at b-site or d-site, underestimation of local inward relaxation in the first oxygen polyhedra around tin atom, and also the improper estimation of electronic density of states and hence resulting in an inappropriate optical spectra of ITO. These discrepancies of theoretical outcomes with experimental observations in ITO arise mainly due to the underestimation of the cationic 4d levels within standard DFT calculations. Henceforth, the inclusion of on-site corrections within DFT + U framework significantly modifies the theoretical results in better agreement to the experimental observations. Within this framework, our calculations show that the indium b-site is preferential site over d-site for tin atom substitution in indium oxide under both the oxidized and reduced conditions. Moreover, the calculated average inward relaxation value of 0.16 Å around tin atom is in good agreement with the experimental value of 0.18 Å. Furthermore, DFT + U significantly modify the electronic structure and consequently induce modifications in the calculated optical spectra of ITO.

  19. Orbital stability of periodic traveling-wave solutions for the log-KdV equation

    Science.gov (United States)

    Natali, Fábio; Pastor, Ademir; Cristófani, Fabrício

    2017-09-01

    In this paper we establish the orbital stability of periodic waves related to the logarithmic Korteweg-de Vries equation. Our motivation is inspired in the recent work [3], in which the authors established the well-posedness and the linear stability of Gaussian solitary waves. By using the approach put forward recently in [20] to construct a smooth branch of periodic waves as well as to get the spectral properties of the associated linearized operator, we apply the abstract theories in [13] and [25] to deduce the orbital stability of the periodic traveling waves in the energy space.

  20. Non-Linear Dynamics of Saturn's Rings

    Science.gov (United States)

    Esposito, L. W.

    2016-12-01

    Non-linear processes can explain why Saturn's rings are so active and dynamic. Ring systems differ from simple linear systems in two significant ways: 1. They are systems of granular material: where particle-to-particle collisions dominate; thus a kinetic, not a fluid description needed. Stresses are strikingly inhomogeneous and fluctuations are large compared to equilibrium. 2. They are strongly forced by resonances: which drive a non-linear response, that push the system across thresholds that lead to persistent states. Some of this non-linearity is captured in a simple Predator-Prey Model: Periodic forcing from the moon causes streamline crowding; This damps the relative velocity. About a quarter phase later, the aggregates stir the system to higher relative velocity and the limit cycle repeats each orbit, with relative velocity ranging from nearly zero to a multiple of the orbit average. Summary of Halo Results: A predator-prey model for ring dynamics produces transient structures like `straw' that can explain the halo morphology and spectroscopy: Cyclic velocity changes cause perturbed regions to reach higher collision speeds at some orbital phases, which preferentially removes small regolith particles; surrounding particles diffuse back too slowly to erase the effect: this gives the halo morphology; this requires energetic collisions (v ≈ 10m/sec, with throw distances about 200km, implying objects of scale R ≈ 20km).Transform to Duffing Eqn : With the coordinate transformation, z = M2/3, the Predator-Prey equations can be combined to form a single second-order differential equation with harmonic resonance forcing.Ring dynamics and history implications: Moon-triggered clumping explains both small and large particles at resonances. We calculate the stationary size distribution using a cell-to-cell mapping procedure that converts the phase-plane trajectories to a Markov chain. Approximating it as an asymmetric random walk with reflecting boundaries

  1. Tailoring the structural and optical properties of TiN thin films by Ag ion implantation

    Energy Technology Data Exchange (ETDEWEB)

    Popović, M., E-mail: majap@vinca.rs; Novaković, M.; Rakočević, Z.; Bibić, N.

    2016-12-15

    Highlights: • Changes in structural and optical properties of TiN films induced by Ag ions. • The formation of Ag metallic clusters inside of TiN layers was observed. • The SPR of Ag particles was confirmed by a broad band in the spectra. • As the Ag ions fluence increases the n also increase and k values decrease. • With increasing ion fluence the TiN film becomes more metallic. - Abstract: Titanium nitride (TiN) thin films thickness of ∼260 nm prepared by dc reactive sputtering were irradiated with 200 keV silver (Ag) ions to the fluences ranging from 5 × 10{sup 15} ions/cm{sup 2} to 20 × 10{sup 15} ions/cm{sup 2}. After implantation TiN layers were annealed 2 h at 700 °C in a vacuum. Ion irradiation-induced microstructural changes were examined by using Rutherford backscattering spectrometry, X-ray diffraction and transmission electron microscopy, while the surface topography was observed using atomic force microscopy. Spectroscopic ellipsometry was employed to get insights on the optical and electronic properties of TiN films with respect to their microstructure. The results showed that the irradiations lead to deformation of the lattice, increasing disorder and formation of new Ag phase. The optical results demonstrate the contribution of surface plasmon resonace (SPR) of Ag particles. SPR position shifted in the range of 354.3–476.9 nm when Ag ion fluence varied from 5 × 10{sup 15} ions/cm{sup 2} to 20 × 10{sup 15} ions/cm{sup 2}. Shift in peak wavelength shows dependence on Ag particles concentration, suggesting that interaction between Ag particles dominate the surface plasmon resonance effect. Presence of Ag as second metal in the layer leads to overall decrease of optical resistivity of TiN.

  2. Response to letter “Electron correlation and relativity of the 5f electrons in the U−Zr alloy system”

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Wei [Materials Science Program, University of Wisconsin-Madison, Madison, WI 53706 (United States); Marianetti, Chris A. [Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027 (United States); Morgan, Dane, E-mail: ddmorgan@wisc.edu [Materials Science Program, University of Wisconsin-Madison, Madison, WI 53706 (United States); Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, WI 53706 (United States)

    2016-08-01

    In the Letter [Söderlind et al., J. Nucl. Mater. 444, 356 (2014)], Söderlind et al. state their interpretation that 1) we view electron correlation to be strong and including spin-orbit coupling (SOC) to be necessary for U metal and U−Zr alloy in our article [Xiong et al., J. Nucl. Mater. 443, 331 (2013)]. Further, they argue that 2) density functional theory (DFT) without adding the Hubbard U potential, especially when solved using all electron methods, already models U and U−Zr accurately, and 3) adding the Hubbard U potential to DFT in DFT + U models U and U−Zr worse than DFT according to volume, bulk modulus, and magnetic moments predicted from their calculations of the γU phase of elemental U metal. With respect to Söderlind et al.’s interpretation 1), we clarify that our opinions are that U and U−Zr are not strongly, but weakly to moderately correlated and that including SOC is beneficial but not necessary for modeling most ground state properties of U and U−Zr. With respect to Söderlind et al.’s argument 2) we demonstrate that previously neglected and very recent experimental data suggest that DFT in Söderlind's full-potential linear muffin-tin orbital calculations [Söderlind, Phys. Rev. B 66, 085113 (2002)] in fact models the bulk modulus and elastic constants of αU with errors considerably larger than other related elements, e.g., most transition metals. With respect to Söderlind et al.’s argument 3) we argue that they have inappropriately focused on just one phase (the BCC γU phase of U metal), neglecting the other phases which represent the majority of our evidence, and made overgeneralizations based on results at only one U{sub eff} value of 2 eV. We therefore maintain our original conclusion that the accuracy of DFT for modeling U and U−Zr has room for improvement and DFT + U can be of value for this purpose on at least some ground state properties.

  3. Stress-Strain Analysis in TiN Nanocoating Deposited on Polymer with respect to Au Nanointerlayer

    Directory of Open Access Journals (Sweden)

    Magdalena Kopernik

    2014-01-01

    Full Text Available The multiscale analysis in the authors’ finite element code confirmed possibility of fracture, because of not sufficiently high level of compressive residual stress in the TiN deposited by physical deposition method and varied mechanical properties of the thin film and substrate. The residual stress cannot be identified by X-ray technique for amorphous polymer and layer with domains of crystalline TiN. It is assumed that the buffer biocompatible thin film of Au in the TiN/Bionate II material system will alter the evolution of residual stress and, therefore, will allow to determine the residual stress in profilometry studies, and helps to improve toughness of the connection between TiN and Bionate II. The introduction of Au nanocoating in the material system results in bending of the sample and a compressive residual stress in the TiN coating. Results of finite element simulation show improvement of connection between the polymer and TiN, and an increase of compressive residual stress in the coating by introduction of Au nanointerlayer results in reduction of stress and strain in the substrate (close to the boundary between substrate and coating.

  4. Recovery Of Valuable Metals In Tin-Based Anodic Slimes By Carbothermic Reaction

    Directory of Open Access Journals (Sweden)

    Han Chulwoong

    2015-06-01

    Full Text Available This study investigated the recovery of anodic slimes by carbothermic reaction in the temperature range of 973~1,273K and amount of carbon as a function of time. Tin anodic slime samples were collected from the bottom of the electrolytic cells during the electro-refining of tin. The anodic slimes are consisted of high concentrated tin, silver, copper and lead oxides. The kinetics of reduction were determined by means of the weight-loss measurement technique. In order to understand in detail of carbothermic reaction, thermodynamic calculation was carried out and compared with experiments. From thermodynamic calculation and experiment, it was confirmed that Sn-based anodic slime could be reduced by controlling temperature and amount of carbon. However, any tendency between the reduction temperature and carbon content for the reduction reaction was not observed.

  5. Superconducting tin core fiber

    International Nuclear Information System (INIS)

    Homa, Daniel; Liang, Yongxuan; Hill, Cary; Kaur, Gurbinder; Pickrell, Gary

    2015-01-01

    In this study, we demonstrated superconductivity in a fiber with a tin core and fused silica cladding. The fibers were fabricated via a modified melt-draw technique and maintained core diameters ranging from 50-300 microns and overall diameters of 125-800 microns. Superconductivity of this fiber design was validated via the traditional four-probe test method in a bath of liquid helium at temperatures on the order of 3.8 K. The synthesis route and fiber design are perquisites to ongoing research dedicated all-fiber optoelectronics and the relationships between superconductivity and the material structures, as well as corresponding fabrication techniques. (orig.)

  6. The incidence of IgG4-positive plasma cells staining TIN in patients with biopsy-proven tubulointerstitial nephritis.

    Science.gov (United States)

    Mac, Kathy; Wu, Xiao Juan; Mai, Jun; Howlin, Kenneth; Suranyi, Michael; Yong, Jim; Makris, Angela

    2017-06-01

    IgG4 disease is rare. However, IgG4 tubulointerstitial nephritis (TIN) is the most common renal manifestation. IgG4 disease is usually associated with elevated serum IgG4 levels and other organ involvement, low-density renal lesions on enhanced CT imaging and immune activation. The incidence of IgG4-TIN may be underestimated, as staining for IgG4 is not routine. This study sought to describe the prevalence of previously undiagnosed IgG4-TIN. Due to the complexity of the diagnosis, we only attempt to look at IgG4-positive plasma cell TIN as a potential indication for IgG4 renal disease. A retrospective review of native renal biopsies performed between 2002 and 2012 with a primary diagnosis of TIN was selected. Samples for which interstitial nephritis was secondary to a glomerular disease were excluded. The tissues were stained for IgG4 and scored by two blinded observers. Demographic and follow-up details were collected. This study was approved by the local ethics committee. 82 cases of interstitial nephritis from a total of 1238 renal biopsies (2002-2012) were available after staining for further assessment. 12 samples demonstrated staining consistent with the criteria for IgG4-positive plasma cell TIN, of which 3 had mildly positive staining, 7 moderately positive staining and 2 had markedly positive staining. There were no statistically significant differences in the baseline characteristics between the positive and negative staining groups. A number of cases of IgG4-positive plasma cell TIN were observed histologically that had been previously diagnosed as non-specific chronic TIN. IgG4-positive plasma cell TIN made up 1% of all renal biopsies performed over 10 years and 13% of all biopsies demonstrating TIN not related to glomerular disease. IgG4 staining should be considered routinely in biopsies demonstrating primary TIN. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/.

  7. Frozen orbit realization using LQR analogy

    Science.gov (United States)

    Nagarajan, N.; Rayan, H. Reno

    In the case of remote sensing orbits, the Frozen Orbit concept minimizes altitude variations over a given region using passive means. This is achieved by establishing the mean eccentricity vector at the orbital poles i.e., by fixing the mean argument of perigee at 90 deg with an appropriate eccentricity to balance the perturbations due to zonal harmonics J2 and J3 of the Earth's potential. Eccentricity vector is a vector whose magnitude is the eccentricity and direction is the argument of perigee. The launcher dispersions result in an eccentricity vector which is away from the frozen orbit values. The objective is then to formulate an orbit maneuver strategy to optimize the fuel required to achieve the frozen orbit in the presence of visibility and impulse constraints. It is shown that the motion of the eccentricity vector around the frozen perigee can be approximated as a circle. Combining the circular motion of the eccentricity vector around the frozen point and the maneuver equation, the following discrete equation is obtained. X(k+1) = AX(k) + Bu(k), where X is the state (i.e. eccentricity vector components), A the state transition matrix, u the scalar control force (i.e. dV in this case) and B the control matrix which transforms dV into eccentricity vector change. Based on this, it is shown that the problem of optimizing the fuel can be treated as a Linear Quadratic Regulator (LQR) problem in which the maneuver can be solved by using control system design tools like MATLAB by deriving an analogy LQR design.

  8. Growth and Characterisation of Pulsed-Laser Deposited Tin Thin Films on Cube-Textured Copper at Different Temperatures

    Directory of Open Access Journals (Sweden)

    Szwachta G.

    2016-06-01

    Full Text Available High-quality titanium nitride thin films have been grown on a cube-textured copper surface via pulsed laser deposition. The growth of TiN thin films has been very sensitive to pre-treatment procedure and substrate temperature. It is difficult to grow heteroexpitaxial TiN films directly on copper tape due to large differences in lattice constants, thermal expansion coefficients of the two materials as well as polycrystalline structure of substrate. The X-Ray diffraction measurement revealed presence of high peaks belonged to TiN(200 and TiN(111 thin films, depending on used etcher of copper surface. The electron diffraction patterns of TiN(200/Cu films confirmed the single-crystal nature of the films with cube-on-cube epitaxy. The high-resolution microscopy on our films revealed sharp interfaces between copper and titanium nitride with no presence of interfacial reaction.

  9. X-ray absorption near-edge spectroscopic study of nickel catalysts

    International Nuclear Information System (INIS)

    Soldatov, Alexander V.; Smolentsev, Grigory; Kravtsova, Antonina; Yalovega, Galina; Feiters, Martin C.; Metselaar, Gerald A.; Joly, Yves

    2006-01-01

    Ni-isocyanide and Ni-acac complexes have been studied by X-ray absorption spectroscopy. Theoretical analysis has been done using self-consistent full multiple scattering (MS) approach within both muffin-tin (MT) model of the potential and non-MT finite deference method. For the isocyanide complex, it was shown that MS theoretical spectra reproduce all structural details of the X-ray absorption near-edge structure (XANES), but also that it is important to consider the non-MT effects in the potential for a correct simulation of the shape of the pre-edge structures. The contribution of a non-constant potential in the interstitial regions is extremely important for the interpretation of the XANES of Ni(acac) 2

  10. Mean-field study of correlation-induced antisymmetric spin-orbit coupling in a two-orbital honeycomb model

    Science.gov (United States)

    Hayami, Satoru; Kusunose, Hiroaki; Motome, Yukitoshi

    2018-05-01

    We investigate a two-orbital Hubbard model on a honeycomb structure, with a special focus on the antisymmetric spin-orbit coupling (ASOC) induced by symmetry breaking in the electronic degrees of freedom. By investigating the ground-state phase diagram by the mean-field approximation in addition to the analysis in the strong correlation limit, we obtain a variety of symmetry-broken phases that induce different types of effective ASOCs by breaking of spatial inversion symmetry. We find several unusual properties emergent from the ASOCs, such as a linear magnetoelectric effect in a spin-orbital ordered phase at 1/4 filling and a spin splitting in the band structure in charge ordered phases at 1/4 and 1/2 fillings. We also show that a staggered potential on the honeycomb structure leads to another type of ASOC, which gives rise to a valley splitting in the band structure at 1/2 filling. We discuss the experimental relevance of our results to candidate materials including transition metal dichalcogenides and trichalcogenides.

  11. XRF measurements of tin, copper and zinc in antifouling paints coated on leisure boats

    International Nuclear Information System (INIS)

    Ytreberg, Erik; Bighiu, Maria Alexandra; Lundgren, Lennart; Eklund, Britta

    2016-01-01

    Tributyltin (TBT) and other organotin compounds have been restricted for use on leisure boats since 1989 in the EU. Nonetheless, release of TBT is observed from leisure boats during hull maintenance work, such as pressure hosing. In this work, we used a handheld X-ray Fluorescence analyser (XRF) calibrated for antifouling paint matrixes to measure tin, copper and zinc in antifouling paints coated on leisure boats in Sweden. Our results show that over 10% of the leisure boats (n = 686) contain >400 μg/cm 2 of tin in their antifouling coatings. For comparison, one layer (40 μm dry film) of a TBT-paint equals ≈ 800 μg Sn/cm 2 . To our knowledge, tin has never been used in other forms than organotin (OT) in antifouling paints. Thus, even though the XRF analysis does not provide any information on the speciation of tin, the high concentrations indicate that these leisure boats still have OT coatings present on their hull. On several leisure boats we performed additional XRF measurements by progressively scraping off the top coatings and analysing each underlying layer. The XRF data show that when tin is detected, it is most likely present in coatings close to the hull with several layers of other coatings on top. Thus, leaching of OT compounds from the hull into the water is presumed to be negligible. The risk for environmental impacts arises during maintenance work such as scraping, blasting and high pressure hosing activities. The data also show that many boat owners apply excessive paint layers when following paint manufacturers recommendations. Moreover, high loads of copper were detected even on boats sailing in freshwater, despite the more than 20 year old ban, which poses an environmental risk that has not been addressed until now. - Highlights: • A new XRF application for analysing metals in antifouling paints has been used. • Almost 700 leisure boats were analysed for tin, copper and zinc. • Over 10% of the leisure boats contained high, >400

  12. Deposition Rate and Energy Enhancements of TiN Thin-Film in a Magnetized Sheet Plasma Source

    OpenAIRE

    Hamdi Muhyuddin D. Barra; Henry J. Ramos

    2011-01-01

    Titanium nitride (TiN) has been synthesized using the sheet plasma negative ion source (SPNIS). The parameters used for its effective synthesis has been determined from previous experiments and studies. In this study, further enhancement of the deposition rate of TiN synthesis and advancement of the SPNIS operation is presented. This is primarily achieved by the addition of Sm-Co permanent magnets and a modification of the configuration in the TiN deposition process. The ...

  13. Canopy architectural and physiological characterisation of near-isogenic wheat lines differing in the tiller inhibition gene tin

    Directory of Open Access Journals (Sweden)

    Carina eMoeller

    2014-12-01

    Full Text Available Tillering is a core constituent of plant architecture, and influences light interception to affect plant performance. Near-isogenic lines (NILs varying for a tiller inhibition (tin gene were investigated for tillering dynamics, organ size distribution, leaf area, light interception, red : far-red ratio, and chlorophyll content. Tillering ceased earlier in the tin lines to reduce the frequencies of later primary and secondary tillers, and demonstrated the genetically lower tillering plasticity of tin compared to free-tillering NILs. The distribution of organ sizes along shoots varied between NILs. In tin lines, internode elongation commenced at a lower phytomer, the peduncles were shorter, the flag leaves were larger, and the longest leaf blades were observed at higher phytomers. Total leaf area was reduced in tin lines. The tiller economy (ratio of seed-bearing shoots to numbers of shoots produced was 10% greater in the tin lines (0.73-0.76 compared to the free-tillering sisters (0.62-0.63. At maximum tiller number, the red: far-red ratio (light quality stimulus that is thought to induce the cessation of tillering at the plant-base was 0.18-0.22 in tin lines and 0.09-0.11 in free-tillering lines at levels of photosynthetic active radiation of 49-53% and 30-33%, respectively. The tin lines intercepted less radiation compared to their free-tillering sisters once genotypic differences in tiller numbers had established, and maintained green leaf area in the lower canopy later into the season. Greater light extinction coefficients (k in tin lines prior to, but reduced k after, spike emergence indicated that differences in light interception between NILs cannot be explained by leaf area alone but that geometric and optical canopy properties contributed. The characterisation of specifically-developed NILs is refining the development of a physiology-based model for tillering to enhance understanding of the value of architectural traits for use in cereal

  14. The determination, by x-ray-fluorescence spectrometry, of tin and zinc in ores, middlings, and residues

    International Nuclear Information System (INIS)

    Balaes, A.M.E.

    1984-01-01

    The method of analysis is applicable to samples with tin and zinc contents from 15μg/g upwards. Samples with widely ranging concentrations of the analytes are diluted with river sand. The matrix variations are compensated for by the use of briquettes containing coarse river sand, a styrene copolymer binder, and an internal standard. Tungsten is used as the internal standard for zinc, and antimony for tin. Calibration graphs for zinc and tin are obtained by the use of a reference material for tin and of zinc oxide for zinc. The precision of the analysis for each element does not exeed 0,040 relative standard deviation. The agreement between the analysis and the accepted international values and recommended values for in-house reference materials is better than 3 per cent over the concentration range 50μg/g to 16 per cent. The lower limits of detection are 2μg/g for tin and 3μg/g for zinc. The overall time required for the analysis of 10 samples, one control sample, and five calibration standards is approximately 3 hours

  15. Determination of total tin in geological materials by electrothermal atomic-absorption spectrophotometry using a tungsten-impregnated graphite furnace

    Science.gov (United States)

    Zhou, L.; Chao, T.T.; Meier, A.L.

    1984-01-01

    An electrothermal atomic-absorption spectrophotometric method is described for the determination of total tin in geological materials, with use of a tungsten-impregnated graphite furnace. The sample is decomposed by fusion with lithium metaborate and the melt is dissolved in 10% hydrochloric acid. Tin is then extracted into trioctylphosphine oxide-methyl isobutyl ketone prior to atomization. Impregnation of the furnace with a sodium tungstate solution increases the sensitivity of the determination and improves the precision of the results. The limits of determination are 0.5-20 ppm of tin in the sample. Higher tin values can be determined by dilution of the extract. Replicate analyses of eighteen geological reference samples with diverse matrices gave relative standard deviations ranging from 2.0 to 10.8% with an average of 4.6%. Average tin values for reference samples were in general agreement with, but more precise than, those reported by others. Apparent recoveries of tin added to various samples ranged from 95 to 111% with an average of 102%. ?? 1984.

  16. 76 FR 31633 - Tin- and Chromium-Coated Steel Sheet from Japan; Institution of a Five-Year Review Concerning the...

    Science.gov (United States)

    2011-06-01

    ... INTERNATIONAL TRADE COMMISSION [Investigation No. 731-TA-860 (Second Review)] Tin- and Chromium... Tin- and Chromium-Coated Steel Sheet from Japan AGENCY: United States International Trade Commission... the antidumping duty order on tin- and chromium-coated steel sheet from Japan would be likely to lead...

  17. Linear and nonlinear waves with orbital angular momentum in magnetized plasma

    Science.gov (United States)

    Ali, Shahid; Kant Shukla, Padma; Tito Mendonca, José.

    2009-11-01

    Here we discuss the concept of orbital angular momentum (OAM) for electromagnetic waves in a magnetized plasma. Nonlinear effects of photons with spin and OAM will be considered. In particular, we examine the case of parametric interactions between circularly polarized electromagnetic waves and Langmuir and ion acoustic waves, including the ponderomotive force of light with OAM in magnetized plasma (Shukla & Stenflo, PRA). This will be a generalization of recent results published in PRL by J.T. Mendonca and B. Thide. We also examine the influence of OAM on the magnetic field generation by the inverse Faraday effect.

  18. A sol-gel method to synthesize indium tin oxide nanoparticles

    Institute of Scientific and Technical Information of China (English)

    Xiuhua Li; Xiujuan xu; Xin Yin; Chunzhong Li; Jianrong Zhang

    2011-01-01

    Transparent conductive indium tin oxide (ITO) nanoparticles were synthesized by a novel sol-gel method.Granulated indium and tin were dissolved in HNO3 and partially complexed with citric acid.A sol-gel process was induced when tertiary butyl alcohol was added dropwise to the above solution.ITO nanoparticles with an average crystallite size of 18.5 nm and surface area of 32.6 m2/g were obtained after the gel was heat-treated at 700 C.The ITO nanoparticles showed good sinterability,the starting sintering temperature decreased sharply to 900 C,and the 1400 C sintered pellet had a density of 98.1 % of theoretical density (TD).

  19. Orbit selection of nanosatellite formation in term of fuel consumption

    Science.gov (United States)

    Pimnoo, Ammarin; Hiraki, Koju

    In nanosatellite formation mission design, orbit selection is a necessary factor. Fuel consumption is also necessary to maintain the orbit. Therefore, the best orbit should be the one of minimum fuel consumption for nanosatellite formation. The purpose of this paper is to provide a convenient way to estimate fuel consumption for a nanosatellite to keep formation flying. The formation is disturbed by J _{2} perturbation and other perturbing accelerations. Firstly, the Hill-Clohessy-Wiltshire equations are used in the analysis. Gaussian variation of parameters is included into the Hill’s equation to analyze the variation of Kaplerian orbital elements. The J _{2} perturbation and other perturbing accelerations such as atmospheric drag, solar-radiation pressure and third-body perturbations are considered. Thus, a linear model based on Hill’s equation is established to estimate fuel consumption. Finally, an example of the best orbit for formation flying with minimum fuel consumption shall be presented.

  20. Work Function Tuning in Sub-20nm Titanium Nitride (TiN) Metal Gate: Mechanism and Engineering

    KAUST Repository

    Hasan, Mehdi

    2011-07-01

    Scaling of transistors (the building blocks of modern information age) provides faster computation at the expense of excessive power dissipation. Thus to address these challenges, high-k/metal gate stack has been introduced in commercially available microprocessors from 2007. Since then titanium nitride (TiN) metal gate’s work function (Wf) tunability with its thickness (thickness increases, work function increases) is a well known phenomenon. Many hypotheses have been made over the years which include but not limited to: trap charge and metal gate nucleation, nitrogen concentration, microstructure agglomeration and global stress, metal oxide formation, and interfacial oxide thickness. However, clear contradictions exist in these assumptions. Also, nearly all these reports skipped a comprehensive approach to explain this complex paradigm. Therefore, in this work we first show a comprehensive physical investigation using transmission electron microcopy/electron energy loss spectroscopy (TEM/EELS), x-ray diffraction (XRD), x-ray photoelectron spectroscopy (XPS) and secondary ion mass spectroscopy (SIMS) to show replacement of oxygen by nitrogen in the metal/dielectric interface, formation of TiONx, reduction of Ti/N concentration and grain size increment happen with TiN thickness increment and thus may increase the work function. Then, using these finding, we experimentally show 100meV of work function modulation in 10nm TiN Metal-oxide-semiconductor capacitor by using low temperature oxygen annealing. A low thermal budget flow (replicating gate-last) shows similar work function boost up. Also, a work function modulation of 250meV has been possible using oxygen annealing and applying no thermal budget. On the other hand, etch-back of TiN layer can decrease the work function. Thus this study quantifies role of various factors in TiN work function tuning; it also reproduces the thickness varied TiN work function modulation in single thickness TiN thus reducing the