Propagation of ultrasonic waves in neptunium monochalcogenides

The ultrasonic attenuation and acoustic coupling constants due to phonon–phonon interaction and thermoelastic relaxation mechanisms have been studied for longitudinal and shear waves in B₁ structured neptunium monochalcogenides NpX (X: S, Se, Te) along 〈1 0 0〉 direction in the temperature range 100–300 K. The second and third order elastic constants (SOEC and TOEC) of the chosen monochalcogenides are also computed for the evaluation of ultrasonic parameters. The ultrasonic attenuation due to phonon–phonon interaction process is predominant over thermoelastic relaxation process in these materials. The ultrasonic attenuation in NpTe has been found lesser than other materials NpS, NpSe and GdY (Y: P, As, Sb and Bi). The semiconducting or semimetallic nature of neptunium monochalcogenides can be well understood with the study of thermal relaxation time. Total ultrasonic attenuation in these materials is found to be quadratic function of temperature. The nature of NpTe is very similar to semimetallic GdP. The mechanical and ultrasonic study indicates that NpTe is more reliable, perfect, flawless material.     

Ultrasonic wave propagation in rare-earth monochalcogenides

The ultrasonic attenuation in thulium monochalcogenides TmX (X=S, Se and Te) has been studied theoretically with a modified Mason’s approach in the temperature and range 100 K to 300 K along 〈100〉, 〈110〉 〈111〉 crystallographic directions. The thulium monochalcogenides have attracted a lot of interest due to their complex physical and chemical characteristics. TmS, TmSe and TmTe are trivalent metal, mixed valence state, and divalent semiconductor, respectively. Coulomb and Born-Mayer potential is applied to evaluate the second- and third-order elastic constants. These elastic constants are used to compute ultrasonic parameters such as ultrasonic velocities, thermal relaxation time, and acoustic coupling constants that, in turn, are used to evaluate ultrasonic attenuation. A comparison of calculated ultrasonic parameters with available theoretical/experimental physical parameters gives information about classification of these materials.      

Ultrasonic attenuation in aluminium

Second- and third-order elastic-constant data have been used to determine the Grüneisen mode, 〈γ〉, average-square Grüneisen constant, 〈γ²〉 and nonlinearity constant D, for Aluminium. The attenuation suffered by longitudinal ultrasonic wave propagating in 〈100〉 and 〈110〉 directions and shear wave polarized along 〈100〉 and 〈1$\text{1}$0〉 directions, due to phonon viscosity and thermoelastic phenomena have been evaluated from two different values of TOEM at 289°K and comparison with observed experimental results has been made also.     

Hydrogen diffusion in the elastic fields of dislocations in iron

The effect of dislocation stress fields on the sink efficiency thereof is studied for hydrogen interstitial atoms at temperatures of 293 and 600 K and at a dislocation density of 3 × 10¹⁴ m^–2 in bcc iron crystal. Rectilinear full screw and edge dislocations in basic slip systems 〈111〉{110}, 〈111〉{112}, 〈100〉{100}, and 〈100〉{110} are considered. Diffusion of defects is simulated by means of the object kinetic Monte Carlo method. The energy of interaction between defects and dislocations is calculated using the anisotropic theory of elasticity. The elastic fields of dislocations result in a less than 25% change of the sink efficiency as compared to the noninteracting linear sink efficiency at a room temperature. The elastic fields of edge dislocations increase the dislocation sink efficiency, whereas the elastic fields of screw dislocations either decrease this parameter (in the case of dislocations with the Burgers vector being 1/2〈111〉) or do not affect it (in the case of dislocations with the Burgers vector being 〈100〉). At temperatures above 600 K, the dislocations affect the behavior of hydrogen in bcc iron mainly owing to a high binding energy between the hydrogen atom and dislocation cores.     

Study of low energy noble gas ion reflection from monocrystalline surfaces; influence of thermal vibrations of the surface atoms: III. A qualitative comparison of experimental and calculational results

The validity of explaining the thermal effects using the chain model approach is investigated. For this purpose a copper (100) surface was bombarded along a 〈100〉 and a 〈110〉 direction, with low energetic noble gas ions. The comparison is troubled by charge exchange effects, which affect strongly the shape of the experimental energy distributions. At highej target temperatures the calculated temperature dependences agree with the experimental observations. At target temperatures below about 400 K discrepancies arise, which can be ascribed satisfactorily to the appearance of surface defects. The angular distributions depend strongly on the occurrence of charge exchange processes. They can be corrected for these effects using a model proposed earlier by the authors.     

Study of the motion of individual triple junctions in aluminum

The mobility of individual triple junctions in aluminum is studied. Triple junctions with 〈111〉, 〈100〉, and 〈110〉 tilt boundaries are studied. The data obtained show that, at low temperatures, the mobility of the system of grain boundaries with a triple junction is controlled by the mobility of the triple junction (the junction kinetics). At high temperatures, the system mobility is determined by the mobility of the grain boundaries (the boundary kinetics). There is a temperature at which the transition from the junction kinetics to the boundary kinetics occurs; this temperature is determined by the crystallographic parameters of the sample.     

bcc Fe中刃型位错的结构及能量学研究

基于位错理论，利用分子动力学方法建立了〈100〉{010}，〈100〉{011}，1/2〈111〉{011}和1/2〈111〉{112}刃型位错的芯结构，并计算了这四种刃型位错的形成能、位错芯能量和芯半径.计算结果表明：〈100〉{010}和〈100〉{011}刃型位错的形成能比1/2〈111〉{011}和1/2〈111〉{112}刃型位错的要高，这表明〈100〉刃型位错比1/2〈111〉刃型位错更难形成.而〈100〉{010}和〈100〉{011}刃型位错的芯半径比1/2〈111〉{011}和1/2〈111〉{112}刃型位错的小，这说明在1/2〈111〉刃型位错中位于奇异区的原子数多于〈100〉刃型位错，而这些原子要比完整晶体中的原子具有更大的活性.可见，1/2〈111〉刃型位错比〈100〉刃型位错更易运动，且〈100〉刃型位错在bcc Fe中难以形成. 关键词： bcc Fe 刃型位错 分子动力学模拟     

Initial stages of hydrogen reduction of NiO(100)

The reduction of single crystal NiO(100) under hydrogen has been followed by AES, XPS and LEED for the pressure range of 1.0 × 10^?7 to 1.3 × 10^?6 Torr and for substrate temperatures of 150–350°C. The kinetics of reduction are controlled both by the rate of removal of lattice oxide at the surface and by the diffusion of subsurface oxygen to the oxygen-depleted surface. The rate of oxygen removal is first-order in surface oxide concentration and in hydrogen pressure. An induction period precedes the reduction reaction and its length is postulated to be controlled by surface defect concentration. The stoichiometric and reduced lattice oxygen species appear to be chemically identical and give a single symmetric XPS peak at 529.4 eV. Nickel spectra indicate a shift in XPS binding energies from those expected of the oxide to those of nickel metal early in the reduction process, although LEED indicates the NiO(100) surface lattice to remain the stable structure for surface reduced to approximately 20% of the stoichiometric oxygen concentration. Ni(100) island formation is observed, with Ni 〈010〉 and 〈001〉 directions along the NiO 〈010〉 and 〈001〉, respectively, but only after the NiO surface is severely depleted in oxygen.     

Dissociation of a 〈100〉 edge superdislocations in the γ ′-phase of nickel-base superalloys

Dissociation of a〈100〉 edge superdislocations in Ni₃Al, the hardening γ′-phase of nickel-base superalloys, was investigated using molecular dynamics simulations and theory of elasticity. It was shown that these dislocations dissociate either symmetrically or asymmetrically when they are close to the 〈011〉 orientation. The symmetric dissociation, called Hirth lock, has the lowest energy. The reasons for the dissociation are the strong energy reduction due to the core splitting and the relaxation of elastic strains within the dissociation area. The dissociation of a〈100〉 edge superdislocations is the reason for their alignment in 〈011〉 orientation in the γ′-rafts of superalloys. However, the dissociation does not block the movement of the dislocation because they penetrate the γ′-rafts by climbing. Under loading conditions, typical for creep tests of nickel-base superalloys at high temperatures (≥1000°C), the Hirth lock slightly expands but remains stable. The asymmetric configuration is less stable and can transform into the lower energy Hirth lock.     

Structure of crystallized layers by laser annealing of 〈100〉 and 〈111〉 self-implanted silicon samples

Channeling effect techniques with a 2.0 MeV He⁺ Rutherford backscattering and transmission electron microscopy were used to characterize the crystallized layers after Q-switched ruby laser irradiation of 4000 Å thick amorphous layer on 〈100〉 and 〈111〉 underlined crystal substrates. At a laser energy density of 2.5 J/cm² the crystal layer on the 〈111〉 specimen contains a large density of stacking-faults, that on 〈100〉 specimen contains a very small amount of screw dislocation lines. High quality single-crystal layers have been obtained after irradiation at 3.5 J/cm². From a comparison with the growth rate and defect structure observed in thermally annealed implanted-amorphous layers, we propose that crystal growth by 50 ns pulse laser annealing occurs by melting the amorphous layer.     

Temperature dependence of elastic moduli for solid C60

The attenuation and velocity of ultrasonic waves (at a frequency of ～4 MHz) along the 〈111〉 and 〈100〉 directions in solid C₆₀ single-crystal samples are measured in the temperature range 100–300 K. The temperature dependences of the complete set of elastic constants for C₆₀ fullerite are determined from the experimental data. It is shown that the specific features in the behavior of the elastic moduli near the orientational phase transition temperature are associated with different contributions of the relaxation processes to the effective elastic moduli. The activation volume and deformation potentials for the ground and excited states of the C₆₀ low-temperature phase are evaluated from the results obtained in this work and the data available in the literature.     

Quantitative Mössbauer analysis

The quantitative analysis of Mössbauer data, as in the measurement of Fe³⁺/Fe²⁺ concentration, has not been possible because of the different mean square velocities 〈x²〉 of Mössbauer nuclei at chemically different sites. A method is now described which, based on Mössbauer data at several temperatures, permits the comparison of absorption areas at 〈x²〉=0.     

Effect of temperature on non-destructive wave propagation in potassium halides

Temperature dependence of ultrasonic attenuation is investigated for potassium halides in the temperature range 100–400 K. These calculations are done for KCl, KBr and KI for longitudinal and shear waves along the 〈1 1 1〉 direction. The non-linearity coupling parameters and thermal relaxation time have also been obtained for these crystals. In the present investigation, it has been found that phonon–phonon interaction is the dominant cause for ultrasonic attenuation.     

Energy and orientation dependence of atom displacement in BCC metals studied by high-voltage electron microscopy

The dependence of the atom displacement rate in Nb, Mo, and Ta on electron energy and irradiation direction has been determined at elevated temperatures by high-voltage electron microscopy. The minimum displacement threshold energy of 24 eV (Nb), 27 eV (Mo), and 14 eV-22 eV (Ta) occurs along the 〈100〉 directions.     

Acoustic wave propagation in barium monochalcogenides in the B1 phase

Temperature dependence of ultrasonic attenuation due to phonon-phonon interaction and thermoelastic loss have been studied in (NaCl-type) barium monochalcogenides [BaX, X = S, Se, Te], in the temperature range 50–500 K; for longitudinal and shear modes of propagation along 〈100〉, 〈110〉, 〈111〉 directions. Second and third order elastic constants have been evaluated using electrostatic and Born repulsive potentials and taking interactions up to next nearest neighbours. Gruneisen parameters, nonlinearity constants, nonlinearity constants ratios and viscous drag due to screw and edge dislocations have also been evaluated for longitudinal and shear waves at 300 K. In the present investigation, it has been found that phonon-phonon interaction is the dominant cause for ultrasonic attenuation. The possible implications of results have been discussed. The text was submitted by the authors in English.     

Farbzentren rhombischer und monokliner Symmetrien in NaF

A number of zero-phonon absorption lines ofF aggregate color centers is studied inx-irradiated NaF crystals under uniaxial stress. The color centers associated with the lines are found to exhibit rhombic (D_2h, D₂, C_2v; rotation axes along 〈110〉 and 〈100〉) and monoclinic (C_2h, C₂, C_s; rotation axis along 〈110〉) symmetries. The transitions of the rhombic color centers correspond to 〈100〉 and 〈110〉 dipoles, those of the monoclinic centers to 〈112〉 and 〈110〉 dipoles. The most prominent line at 5803 Å is due to a 〈112〉 dipole transition within a monoclinic color center. Several models of centers are discussed.     

Composite fermions,trios, and quartets in the Fermi-Bose mixture of neutral particles

We consider the model of a Fermi-Bose mixture with strong hard-core repulsion between particles of the same sort and attraction between particles of different sorts. In this case, in addition to the standard anomalous averages of the type 〈b〉, 〈bb〉, and 〈cc〉, pairing between fermions and bosons of the type 〈bc〉 is possible. This pairing corresponds to creation of composite fermions in the system. At low temperatures and equal densities of fermions and bosons, composite fermions are further paired into quartets. At higher temperatures, trios consisting of composite fermions and elementary bosons are also present in the system. Our investigations are important in connection with the recent observation of weakly bound dimers in magnetic and optical dipole traps at ultralow temperatures and with the observation of collapse of a Fermi gas in an attractive Fermi-Bose mixture of neutral particles.     

Surface free energy anisotropy measurement of indium

The equilibrium shape of In crystallites shows {111}, {001}; and {100} plane faces. The facets are connected by curved surfaces with smooth edges. The Wulff construction allows the surface free energy anisotropy to be measured in the main zones of the crystal, i.e. 〈001〉, 〈100〉, 〈110〉 and 〈011〉. The higher surface free energy is found in the 〈011〉 direction. Within the accuracy of the measurements the {001} and {100} faces show the same energy.     

Effects of band non-parabolicity on electron drift velocity in silicon above room temperature

Electron drift velocity in silicon is studied at and above room temperature (300, 370 and 430 K) as function of field strength (up to 60 $\text{kV}\text{cm}\text{)}$ and orientation (〈111〉 and 〈100〉). Experimental data show a small anisotropy even at the highest considered temperature, while saturation is well evidenced only at 300 K with the field oriented along the (111) axis. The data are interpreted with theoretical Monte Carlo calculations. The model includes non-parabolicity of the band, and a non-parabolicity parameter α = 0.5 eV^?1 is suggested by the comparison of theoretical and experimental results.     

Remanenz und Ummagnetisierungsbeginn in Nickeleinkristallen

The hysteresis, especially the remanence, and the magnetostriction of nickel single crystal rods of 〈110〉, 〈111〉, 〈100〉 and medium orientation are measured at room temperature in a magnetic joke and their dependence on plastic deformation is investigated. In undeformed crystals the nucleation of reverse domains needs a negativeH-field several times the coercivity, thus causing an “overshooting” of the hysteresis. Very small plastic deformations initiate the formation of the reverse domains and destroy the overshooting. Similar to polycrystals, the remanence of the single crystals — except those with 〈100〉 as axis — falls steeply at the beginning of plastic deformation to about 40% of its initial value. The magnetization reversal and the role of nucleation processes are discussed for the different orientations.