High-speed superplasticity of microcrystalline alloys under conditions of local grain boundary melting

A model is proposed for the high-speed superplasticity of materials under conditions of local grain boundary melting at temperatures close to solidus. It is shown that the local melting of grain boundaries containing segregations of impurity atoms, results in the formation of a structure consisting of liquid-phase regions and solid intergranular bridges which provide cohesion of the grains during the deformation process. The equilibrium concentration, dimensions, and activation energy for the formation of solid bridges are determined as a function of the temperature, initial impurity concentration in the boundary, and the boundary thickness. A mechanism is proposed for grain-boundary slip under conditions of local grain boundary at anomalously high strain rates. Zh. Tekh. Fiz. 68, 38–42 (December 1998)     

Influence of annealing at temperatures above the solidus temperature on the structure and galvanomagnetic properties of Bi<Subscript>92</Subscript>Sb<Subscript>8</Subscript> solid-solution thin films

The influence of the annealing temperature from the interval between the solidus and liquidus temperatures of Bi₉₂Sb₈ solid solution on its structure and galvanomagnetic and thermoelectric properties has been studied. It has been shown that films of bismuth–antimony solid solution grown by thermal evaporation in a vacuum will have a large-grained structure after annealing at temperatures higher than the solidus temperature of the solid solution. It has been found that these films offer the lowest resistivity, the highest relative magnetoresistance, and the highest mobility of charge carriers. As the annealing temperature approaches the liquidus temperature, the probability that a dendritic structure will form and antimony-enriched regions will appear grows. This causes an increase in the charge carrier concentration and a decrease in the resistivity with a decrease in the relative magnetoresistance and charge carrier mobility.     

Heterodiffusion of selenium in Bi2Te3

We present results for the anisotropic diffusion coefficient of selenium, isoelectronic impurity, in Bi₂Te₃ along the solidus. The experimental conditions permitted us to obtain a definite stoichiometric deviation, and diffusion profiles were obtained by SIMS.     

Phase equilibria in III–V quaternary systems—application to Al-Ga-P-As

A method is given to calculate liquidus-solidus phase diagrams involving quaternary III–V solid solutions of the type A_xB_{1 ? x}C_yD_{1 ? y}. The calculation treats the mixture of A and B atoms on the group III sublattice and C and D atoms on the group V sublattice as strictly regular and the quaternary liquid solution as simple. The input parameters for the calculation are obtained from existing analyses of the binary and ternary boundaries of the phase diagram.Experimental liquidus and solidus data along several Al isoconcentration curves on the 900 ° and 1000 °C isotherm surface are presented for the Al-Ga-P-As system. The liquidus data are obtained by liquid observation and saturation techniques and solidus compositions determined on self-nucleated cyrstals and on mixed crystal layers grown on GaP substrates. The experimental results are consistent with the calculated phase diagram for this system.     

On the Calculation of the Debye Temperature and Crystal–Liquid Phase Transition Temperature of a Binary Substitution Alloy

A method of estimating the interatomic pair interaction potential parameters for a binary substitution alloy with consideration for the deviation of its lattice parameter from the Vegard law is proposed. This method is used as a basis to calculate the Debye temperature and Grüneisen parameters of a SiGe alloy. It is shown that all these function nonlinearly variate with a change in the germanium concentration. Based on this technique and Lindemann's melting criterion, a method for calculating the liquidus and solidus temperatures of a disordered substitution alloy is proposed. The method is tested on the SiGe alloy and demonstrates good agreement with experimental data. It is shown that when the size of a nanocrystal of a solid substitution solution decreases, the difference between the liquidus and solidus temperatures decreases the more, the more noticeably the nanocrystal shape is deflected from the most energetically optimal shape.

     

High strain rate deformation and fracture of the magnesium alloy Ma2-1 under shock wave loading

This paper presents the results of measurements of the dynamic elastic limit and spall strength under shock wave loading of specimens of the magnesium alloy Ma2-1 with a thickness ranging from 0.25 to 10 mm at normal and elevated (to 550°C) temperatures. From the results of measurements of the decay of the elastic precursor of a shock compression wave, it has been found that the plastic strain rate behind the front of the elastic precursor decreases from 2 × 10⁵ s^?1 at a distance of 0.25 mm to 10³ s^?1 at a distance of 10 mm. The plastic strain rate in a shock wave is one order of magnitude higher than that in the elastic precursor at the same value of the shear stress. The spall strength of the alloy decreases as the solidus temperature is approached.     

Defect equilibria in silver sulphide

The variation of the sulphur content with sulphur fugacity was measured under isothermal conditions in the homogeneity range of Ag_2+δS. A defect model was constructed from the measurements. The prevailing defects giving rise to deviations from stoichiometry are: (i) surplus silver atoms, forming a degenerate electron gas, (ii) neutral defects generated by interchanging one sulphur atom for a silver atom, and (iii) neutral sulphur vacancies. The solidus lines of Ag_2+δ S were calculated from this defect model. The homogeneity range extends to both sides of the stoichiometric composition.     

Electronic and geometric properties of alkali-C60 molecules

First-principle electronic structure calculations are carried out for M_xC ₆₀ ^q , where M = Li, Na, K and ( x , q ) = (1, 0),(1,±1),(2, 0),(3, - 1),(6, 0),(6, - 1),(12, 0) using the local density functional. The electric dipole moment for MC₆₀ agrees with the experimental results. The calculated Mulliken charge indicates that the bonding of the alkali atom with C₆₀ is mostly ionic except for lithium. The alkali atom prefers to make many bonds with the carbon atoms rather than a single bond with the neighbor carbon atom. The calculated adsorption energy suggest that the metal-metal bonding of sodiums and potassiums on C₆₀ arises for more than the six valence electrons in the alkali atoms. The lithium-lithium bond is, on the other hand, not appeared for x ? 12. The difference in the most stable geometry between lithiums and the other alkali atoms on C₆₀ comes from the covalent character of the lithium-carbon bond.     

Electron-pair densities of group 2 atoms in their and terms

Electron-pair intracule (relative motion) and extracule (center-of-mass motion) densities are studied in both position and momentum spaces for the ¹ P and ³ P terms of the group 2 atoms Be (atomic number Z =4), Mg (Z =12), Ca (Z =20), Sr (Z =38), Ba (Z =56), and Ra (Z =88). In position space, the ¹ P - ³ P difference in the intracule densities shows that the probability of a small interelectronic distance is larger in the triplet for all the six atoms, as reported for the lightest Be atom in the literature. The position-space extracule density clarifies that the triplet electrons are more likely to be at opposite positions with respect to the nucleus than the singlet electrons for all the atoms. In momentum space, the singlet generally has a larger probability of a small relative momentum between two electrons as a na?ve manifestation of the Fermi hole in the triplet. The extracule density in momentum space shows that the ¹ P term has a distribution larger in a large center-of-mass momentum region than the ³ P term. Received: 26 August 1998 / Received in final form: 1 February 1999     

The effect of quenching from different temperatures on Bi0.88Sb0.12 alloy

Structural, thermal, resistive and magnetic properties of melt quenched Bi_0.88Sb_0.12 alloys are reported. The samples are heated at three different temperatures, followed by rapid quenching in liquid nitrogen. Large temperature difference between liquidus and solidus lines, led to microscopic in-homogeneity in the alloy. The effect of quenching from different temperatures in polycrystalline Bi_0.88Sb_0.12 alloy has been studied. The parameters such as strain, unit cell volume, and resistivity are found to increase with temperature. Thermal variation of resistivity depicts non-monotonic temperature dependence. The total negative susceptibility increases and band gap of semiconducting Bi_0.88Sb_0.12 samples decreases with increasing temperature.     

A Method for Accurate Calculation ofB1Fields in Three Dimensions. Effects of Shield Geometry on Field Strength and Homogeneity in the Birdcage Coil

A method for calculatingB₁field strength and homogeneity as functions of radiofrequency shield geometry is presented. The method requires use of three-dimensional finite-element analysis, birdcage-coil theory, and antenna-array theory. Calculations were performed for a 12-element birdcage coil (19 cm diameter, 21 cm length) at 125 MHz. CalculatedB₁field strengths and homogeneities for the coil in 25 different shields and in no shield are given. For configurations where the shield is longer than the coil, bothB₁field strength and homogeneity decrease as shield diameter decreases or as shield length increases. In configurations where the shield is shorter than the coil and has a diameter of 25.6 cm,B₁homogeneity is greater than in an unshielded coil.B₁field strength was measured experimentally at 125 MHz in a birdcage coil of the same geometry as the model within shields of four different diameters. Calculated results very closely matched experimental measurement.     

Multiparticle continuum in the excitation spectrum of the compound CsNiCl

Recent neutron scattering experiments on CsNiCl₃ reveal some features that are not well described by the standard nonlinear σ model, nor by numerical simulations, for isolated S = 1 spin chains. In particular, in real systems at the antiferromagnetic point of the Brillouin zone, the intensity of the continuum of multiparticle excitations, at T = 6 K, is about 5 times greater than predicted. Also, the spin gap is higher and the correlation length is smaller than predicted. We propose a theoretical scenario where the interchain interaction is approximated by an effective staggered magnetic field, and that yields a correct prediction for the observed quantities. Received 2 October 2002 / Received in final form 19 March 2003 Published online 7 May 2003     

Flow equations for electron-phonon interactions: phonon damping

We report Nuclear Magnetic Resonance studies of CeAuAl₃ and LaAuAl₃ at frequencies between 1.30 and 76.91 MHz and at temperatures from up to . CeAuAl₃ is a new heavy-electron compound which orders antiferromagnetically at . For the two inequivalent Al sites of CeAuAl₃, the transferred hyperfine couplings and are relatively small compared to those in other Ce compounds. The nuclear quadrupolar coupling constants e2qQ / h are 2.9 MHz and 7.8 MHz, respectively. We suggest that the magnetic structure of the ordered state below is of a simple spiral type with the ordered Ce moments arranged ferromagnetically within the ( ab ) planes of the tetragonal crystal lattice. Based on this magnetic structure we estimate a 25% reduction of the Ce moments, most likely due to Kondo screening. At high temperatures, in the paramagnetic state of CeAuAl₃, the spin-lattice relaxation rate T1 ^-1 is dominated by the fluctuations of the localised Ce moments. At , T1 ^-1 is , more than two orders of magnitude larger than for the reference compound LaAuAl₃. For temperatures lower than T1 ^-1 decreases as a function of ( T / H ) and below , displays a linear-in-T behaviour, strongly enhanced compared to the reference compound LaAuAl₃. Received: 5 May 1998 / Received in final form: 16 July 1998 / Accepted: 20 July 1998     

High accuracy Dirac-finite-element (FEM) calculations for H 2 + and Th 2 179 +

A two-dimensional, fully numerical approach to the four-component first-order Dirac-differential-equation utilizing the Finite-Element-Method (FEM) is employed for H ₂ ⁺ and Th ₂ ^{179 +} . Using elliptic-hyperbolic coordinates and further one-dimensional singular transformations, scaling transformations and extrapolation techniques (geometrical over iteration steps and logarithmic over grid points) we achieve for the molecules H ₂ ⁺ and Th ₂ ^{179 +} relative accuracies better than 10^-12 for 1(1/2) g energies. Received 16 February 2001 and Received in final form 12 July 2001     

Measurementof the transition probability in calcium

We have measured the ratio between the transition probabilities of two forbidden lines in Ca: the intercombination line at 657.3 nm and the E 2 line at 457.5 nm. The value we obtained for this ratio is (54.1±2.4). Combined with the most accurate value available in literature for the lifetime of the ³ P ₁ level, our measurement gives a value of (54.4±4.0) s^-1 for the ¹ S ₀ ↦ ¹ D ₂ transition probability, significantly more accurate than the previous determinations. Received 17 June 2002 / Received in final form 9 December 2002 Published online 4 March 2003     

Exact ground-state for the periodic Anderson model in dimensions at finite value of the interaction and absence of the direct hopping in the correlated f-band

We report for the first time exact ground-states deduced for the D = 2 dimensional generic periodic Anderson model at finite U, the Hamiltonian of the model not containing direct hopping terms for f-electrons ( t ^f = 0). The deduced itinerant phase presents non-Fermi liquid properties in the normal phase, emerges for real hybridization matrix elements, and not requires anisotropic unit cell. In order to deduce these results, the plaquette operator procedure has been generalised to a block operator technique which uses blocks higher than an unit cell and contains f-operator contributions acting only on a single central site of the block. Received 1st July 2002 / Received in final form 16 September 2002 Published online 19 December 2002 RID="a" ID="a"e-mail: gulacsi@heavy-ion.atomki.hu     

Ultraviolet photoelectron spectroscopy of Si 4 - to Si 1000 -

Using a new experimental setup we have measured UV (h ν = 6.4 eV) photoelectron spectra of cold silicon cluster anions Si _n ^- in a very broad size range. For sizes up to n = 46 the spectra exhibit rich structures. For larger sizes only smooth spectra have been obtained. No trace of a bandgap has been found even for clusters with more than 1000 atoms. Received 30 November 2000     

Relationship between resistivity and specific heat in a canonical non-magnetic heavy fermion alloy system: UPt5-xAu x

A comprehensive study of the relationship between the electronic specific heat coefficient () and the temperature square coefficient (A) of the electrical resistivity for a single, cubic, heavy fermion alloy system, UPt_5-xAu_x is presented. In this alloy system, whose low temperature properties are consistent with the Fermi-liquid behavior, varies by more than a factor of 10 while the corresponding A coefficient changes by a factor larger than 200. A tracks changes in fairly well, but , postulated to have a universal value for heavy fermions, is not constant and varies from about 10^-6 (x = 0, 0.5) to 10^-5 cm (mol K/mJ)² (x > 1.1), thus from a value typical of transition metals to that characteristic of other heavy fermion compounds. We have found a correlation between and magnetic characteristics such as the paramagnetic Curie-Weiss temperature and the low temperature magnetic susceptibility divided by . Received 29 January 1999     

Reaction and inelastic processes in the collision O () + O ()

A reduced dimensionality model is used to study the reaction OO O ₃ ( X1A1 ) + O( ³ P ) by means of time-dependent and time-independent quantum-mechanical methods. State-selected probabilities and rate constants are obtained for the reactive process as well as for the inelastic collision in which the vibrationally excited oxygen loses one or more quanta. It is found that the experimentally observed jump in depletion rates above a critical value of v could be partially explained by the vibrational relaxation rather than reaction. Reaction only becomes important for relatively high translational energies and therefore the calculated rates are too small at the temperatures of interest. It is concluded, however, that the reaction saddle point region in the potential energy surface plays a crucial role in the enhancement of vibrational relaxation. Received: 3 February 1998 / Revised: 27 March 1998 / Accepted: 15 May 1998     

Properties of doubly excited states of H- and He associated with the manifolds from N = 6 up to N = 25

This paper discusses theory and results on ¹P⁰ doubly excited states (DES) in He and in H^- of very high excitation, up to the N = 25 manifold. Our calculations employed full configuration interaction (CI) with large hydrogenic basis sets and produced correlated wavefunctions for the four lowest roots at each hydrogenic manifold by excluding open channels and the small contribution of series belonging to lower thresholds. The suitability of the hydrogenic basis sets for such calculations is justified, apart from their practicality, by the fact that, by computing from them natural orbitals, the results were shown to be the same with those of earlier multiconfigurational Hartree-Fock (MCHF) calculations on low-lying DES. In total, 160 states were computed, most of them for the first time. Their energy spectrum should be of use to possible future photoabsorption experiments. For certain low-lying DES up to N = 13, for which previous reliable results are available, comparison of the calculated energies shows good agreement. The correlated wavefunctions contain systematically chosen single and double excitations from each hydrogenic manifold of interest. From their analysis, we determined the “goodness" of different quantum numbers and the geometry (average angles and radii) as a function of excitation. For the Sinano lu-Herrick ( K , T ) classification scheme, whose basis is a restricted CI with hydrogenic functions and which has thus far been tested only on low-lying DES, we established that, whereas T remains a good index as energy increases, K does not. Consequently, a more flexible than K quantum number is needed in order to account for most of the additional correlation. This number, represented by F = N - K - 1, where N and K are not good numbers anymore, produces consistently a much higher degree of purity than the ( K , T ) scheme does, especially as N increases and as the relative significance of various virtual excitations due to electron correlation increases. Among the four states of each manifold, in all cases in H^- and in most cases in He, the three are of the intrashell type and one is of the intershell type with ( F , T ) = (0, 0). The lowest intrashell states and the lowest intershell states exhibit a wide angle geometry tending to 180 ^° as N ↦∞. Received 10 September 2001 and Received in final form 12 November 2001