


Vol 80, No 6 (2016)
- Year: 2016
- Articles: 39
- URL: https://journals.rcsi.science/1062-8738/issue/view/11548
Proceedings of the Interdisciplinary Symposium “Ordering in Minerals and Alloys” OMA-18 and Proceedings of the International Interdisciplinary Symposium “Order, Disorder, and Properties of Oxides” ODPO-18
Theoretical determination of the rate of capillary absorption for a nanocapillary
Abstract
A general integral for the equation used in modeling the processes of capillary absorption in nanotubes is derived. The initial classical and two-point problems are investigated, and ratios allowing us to determine the height of lifting and the speed of a liquid’s motion in a capillary are established. Computational experiments are performed, and a comparative analysis of the results is presented on the basis of the obtained regularities.



Effect of interstitial Coulomb interaction on the occurrence of a gapless superconducting phase of Hubbard fermions on a triangular lattice
Abstract
The concentration dependence of the position of nodal points of a superconducting order parameter is investigated using the t–J–V model for a triangular lattice with regard to the exchange and Coulomb interactions in two coordination spheres. The conditions for a topological quantum transition are established.



Anomalies in the characteristics of electronic structure upon a quantum phase transition to a state with two order parameters and the breaking of time-reversal symmetry
Abstract
Based on the periodic Anderson model, microscopic expressions for the Ginzburg–Landau expansion coefficients in a phase with superconducting and antiferromagnetic order parameters are obtained. Temperature dependences of the order parameters near the temperature of the transition to this phase are established. The emergence of anomalous properties upon the quantum phase transition to the phase with two order parameters is investigated. This transition is accompanied by drastic reconstruction of the density of states, reflected by the interplay between superconductivity and antiferromagnetism.



Synthesis and electrical properties of new perovskite-like AMn3V4O12 (A = Ca, Ce, and Sm) compounds
Abstract
AMn3V4O12 (A = Ca, Ce, and Sm) compounds with a perovskite structure are synthesized at high pressures and temperatures. The crystalline structure of these compounds (space group \(Im\bar 3\)Z = 2) is determined via X-ray analysis. If ions in the A sublattice are changed in the order Ca2+–Sm3+–Ce3+, the valence is redistributed from Ca2+Mn32+V44+O12 to Sm3+Mn32+V43.75+O12, and to Ce3+Mn32+V43.75+O12. The temperature dependences of the electrical resistivity are studied.



Modifying the surface of a hydrogen permselective palladium–silver membrane
Abstract
Thin films of Pd–23% Ag composition are obtained by means of magnetron sputter deposition. The surfaces of the films are modified via the electrolythic deposition of finely divided palladium. The hydrogen permeabilities of samples of membranes (both smooth and modified with palladium black) are compared. A marked increase in the hydrogen permeability of the modified membrane is observed, compared to the smooth membrane. The dependence of the rate of hydrogen fluence on the excess pressure is approximated by a curve of the first order, demonstrating the limitations of the process of hydrogen permeation by hydrogen superficial dissociation.



Interaction between solid nickel and a tin–indium eutectic melt, and the nature of eutectic alloys
Abstract
Structural transformations during reactions between nickel and an indium–tin eutectic melt are studied via the diffraction of high-energy synchrotron radiation. It is shown that InNi intermetallic compound is the first to form after melting. No phases belonging to a Ni–Sn system are observed. A hypothesis concerning the nanocluster structure of the eutectic melt is proposed: Structural formations with forbidden five-fold, seven-fold, and higher-order rotational axes of symmetry lie at the heart of nanosized clusters.



Strong relaxation polarization in a double-layer capacitor
Abstract
In dielectrics, strong relaxation polarizations develop that contribute much to the polarization of the substance. Such great contributions should be expected in heterogeneous dielectrics. Relaxation polarization is studied in the simplest of heterogeneous dielectrics: a double-layer capacitor. The areas of concentration of the development of strong relaxation polarizations, the locations of which depend on the ratios of permittivities and the through electrical conductivities of the layers, are determined. The transition to strong relaxation polarization in this case also occurs in accordance with criteria developed earlier.



Spreading of gallium on the surface of a contact layer of variable composition from the Pb–Bi system
Abstract
An approach for obtaining substrates of variable composition of metal systems is proposed. The spreading of drops of gallium of uniform size on the surfaces of areas of variable composition, obtained via contact melting of the Bi-Pb system is studied. A change in the diameter of a spot is observed, depending on the position of the drop on the surface of the substrate. A change in the shape of the spot is observed, depending on the composition along the interface region. The need to use force to separate the crystallized drops from the surface of the substrate, depending on the positions of the gallium drops (i.e., the substrate’s composition) confirms the wettability upon spreading.



Determining the valence state of manganese ions in complex oxides La1–xCaxMnO3 (x = 0.5, 0.7, 0.85, and 0.9) based on Mn2p and Mn3s X-ray photoelectron spectra
Abstract
The valence state of manganese ions in complex oxides La1–xCaxMnO3 (x = 0.5, 0.7, 0.85, and 0.9) is studied on the basis of Mn2p and Mn3s X-ray photoelectron spectra. It is shown that manganese ions have the valence of Mn3+ and Mn4+ in the studied compounds. The relative Mn3+/Mn4+ content is determined.



Types of surface modulation in a Ge–Si(111) heterosystem
Abstract
Three types of elastic modulation in atomic layers of epitaxial Ge films on the surface of Si(111) observed in scanning tunnel microscopy are discussed. Two types of modulation are associated with misfit dislocations accumulating at the interface. Modulation of the third type arises on the surfaces of dislocation-free pseudomorphic films and could be due to the presence on a Si substrate surface of two-dimensional silicon islands with a height of three atomic bilayers and lateral dimensions of 15–20 nm. Measured bending values Δh for the third type of modulation (Δh ≤ 0.1 nm) agree with data calculated within the theory of elasticity



Changes in the functional chemical composition of the surfaces and microhardness of kimberlite minerals under the action of nanosecond high voltage pulses
Abstract
Using a set of physicochemical methods (XPS, analytical electron microscopy, the adsorption of acid–base indicators, and measuring microhardness), the effectiveness of nonthermal action produced by nanosecond high voltage pulses for targeted changes in the phase (functional chemical) composition and technological properties of rock-forming minerals of kimberlites and diamonds is shown. According to data obtained via XPS and SEM-EDX analyses, pulse energy actions damage the surface microstructure of dielectric minerals with the subsequent formation of traces of surface breakdowns and microcracks, softening rockforming minerals, and reducing their microhardness by 40–66% overall. The following changes in the functional chemical composition of a geomaterial surface are established through the adsorption of acid–base indicators: mutual transformations of the Brønsted base, Lewis base, and Brønsted acid sites on a calcite surface under the action of an electromagnetic pulse and the hydroxylation and/or formation of carbonyl groups on a diamond surface, doubling the diamond electrokinetic potential in the negative range.



Refraction index dispersion in Tl1–xAgxGaSe2 (0 ≤ x ≤ 0.025) crystals
Abstract
Refraction index dispersion in Tl1–xAgxGaSe2 (0 ≤ x ≤ 0.25) crystals is investigated by studying their intrinsic interference. It is shown that there are domains with anomalous dispersion in the investigated crystals at wavelengths slightly exceeding those corresponding to exciton peaks. It is established that excitons in the crystals can be detected from their intrinsic interference at room temperature. In addition, modulation of interference patterns is observed, and a possible explanation of this phenomenon is proposed.



X-ray study of titania- and alumina-supported rhodium catalysts for the hydrogenation of hydrocarbons
Abstract
An X-ray study of titaniaand alumina-supported rhodium catalysts for the hydrogenation of hydrocarbons is performed. Rhodium is shown to be present in the form of highly dispersed oxide, independent of the type of support. The atomic structure of alumina changes, while no change in the real structure of titanium oxide is observed.



Anisotropy of the interface energy of IA and IB metals at a boundary with organic liquids
Abstract
A statistical electron technique for calculating the interface energy at a boundary with nonpolar organic liquids is proposed in the context of the Frenkel–Gambosh–Zadumkin theory. The anisotropy of the interface energy is determined. The general dependences of the interface energies of alkali metals, copper, silver, and gold on temperature, the atomic numbers of metals, and the dielectric permeability of the organic liquid are found.



Orientation dependence of creep in Ni3Ge single crystals
Abstract
The creep of Ni3Ge alloy single crystals oriented along [001], \([\bar 139]\), \([\bar 234]\) and \([\bar 122]\) strain axes is investigated. It is established that the transition from an octahedral to a cubic slip raises the alloy’s resistance to creep deformation. The slip in cube planes demonstrates the high stability of the rate of steady-state creep with respect to changes in the testing temperature.



Low-temperature spin relaxation in compacted powders of CrO2 solid solutions with iron impurities
Abstract
The effect iron impurities have on the low-temperature behavior of the magnetoresistance of compacted powders of CrO2 ferromagnetic half-metal with anisotropic particle shape is investigated. The strong dependence of magnetoresistance on the spin relaxation rate during specimen magnetization reversal is revealed. It is shown that the addition of Fe impurities increases the powders’ coercive force and reduces tunnel magnetoresistance. A resonance mechanism of carrier tunneling in powders of CrO2 solid solutions with iron impurities is proposed.



Synthesis, sintering, and conductivity of Mn2V2O7
Abstract
Studies on the sintering of manganese pyrovanadate depending on the temperature and the crystallite size show that we are prevented from obtaining a bulk ceramic sample by the anisotropic growth of grains. Investigation of the electrical properties of Mn2V2O7 in the temperature range of 250–800°C reveals the activation energy at which bulk conductivity is 0.62 eV.



Frequency properties of heterostructures based on bismuth selenide upon bipolar resistive switching: Experiments and numerical simulation
Abstract
The effect applied voltage frequency has on bipolar resistive switching in microcontact type heterostructures based on thin films and single crystals of bismuth selenide is studied both experimentally and via numerical simulation.



Σ3 twin boundaries and texture in FCC solid solutions and alloys with L12 superstructure
Abstract
Crystallographic textures in solid solutions (Cu–Al, Cu–Mn) with face-centered cubic lattice, and in alloys (Ni3Mn, Pd3Fe) with L12 superstructure, are investigated by means of scanning electron microscopy with back-scattered electron diffraction. It is found that an increase in the portion of S3 twin boundaries in a special type of boundary spectrum is accompanied by a strengthening of texture.



Synthesis and magnetic and electrical study of TmxMn1–xS solid solutions
Abstract
New antiferromagnetic semiconductor compounds TmxMn1–xS (0 ≤ x ≤ 0.15) with an NaCl-type FCC lattice are synthesized, and their structural, magnetic, and electrical properties are investigated at temperatures of 80–1100 K in magnetic fields of up to 10 kOe. Anomalies in the temperature dependence of resistivity in the region of magnetic transition are observed. The activation energy of the synthesized compounds is found and shown to grow along with the concentration of a substitute.



Variation of internal stresses as a function of deformation and distance from sources in Cu–Al polycrystalline alloys
Abstract
Internal stress fields in deformed Cu–Al polycrystalline alloys are studied via TEM. The sources of such stresses are determined. Internal stress fields are measured as a function of distance from different sources. The effect grain size has on the formation of internal stresses is determined.



Using magnetic resonance characteristics to model the structure of multilayer composite nanosystems
Abstract
The magnetic resonance characteristics of multilayer composite nanosystems with dielectric, semiconductor, and metal nonmagnetic interlayers are investigated. Analysis of the experimental data shows that the dominant factor determining the magnetic resonance characteristics of multilayer composite nanosystems is the shape of their magnetic granules.



Determining the profile of a spreading droplet with allowance for the slipping effect
Abstract
A mathematical model describing the isothermal spreading of a liquid droplet on a horizontal substrate with allowance for the effect of slipping is studied by quasi-stationary means. Patterns in the variation of the droplet profile and the wetting radius are determined within the considered model. Calculations for a dimensionless case are performed on the basis of the obtained results.



Effect of alkali reagents on the crystal structure of chemically deposited CoP films
Abstract
The effect alkali reagents have on the crystal structure of CoP films prepared via chemical deposition is investigated. It is shown that the use of sodium hydrogen carbonate and ammonium hydroxide in low concentrations leads to growth of the hexagonal phase in the films. As the concentration of alkali reagents is increased, the formation of a cubic or amorphous phase is observed.



Phase transitions and critical phenomena in multiferroic films with orthorhombic magnetic structure
Abstract
Phase transitions and critical phenomena in materials with strongly correlated magnetic, ferroelectric, and elastic subsystems are studied. A theoretical study of the influence external fields (dc and ac) have on the dynamics of phase transitions in perovskite-type crystals is performed.



Size dependence of the surface energy and surface tension of metal nanoparticles
Abstract
The specific surface energy of small nanoclusters of transition fcc metals is calculated using the many-particle tight-binding potential and its earlier analog, the Gupta potential. The calculations are performed using both a theoretical model and computer simulations based on the Monte Carlo method. The equimolecular surface is considered as the dividing surface. It is found that at short radii of the nanoclusters, the surface energy and surface tension grow linearly as the particle radius increases. The values of the coefficient of proportionality in the dependence of the specific surface energy on the radius of a nanocluster are compared to the available literature data, experimental and otherwise.



Analytical estimates of permeability and possible convective heat transfer in compact porous fluid–saturated rocks
Abstract
The possible occurrence of convection in fine-grained (low-porous <15%) fluid-saturated (argon, water) rocks under hydrostatic pressures of up to 100 MPa is studied. Calculations of the Rayleigh filtration number and the Darcy number are presented. It is shown that the convective motion of fluid does not occur in pore-saturating fluids within the considered range of pressure variation, pore sizes, and temperature differences.



Microscopic theory of the second- and third-order elastic constants of cobalt in a thermodynamic module
Abstract
The total potential energy of a crystal is presented as an expansion by irreducible interactions in clusters containing pairs of atomic triplets and quadruplets. The potential energy of the clusters in the adiabatic approximation is a function of vectors \(\vec r_{ik}\) connecting the centers of atoms in the clusters. Arguments (basic functions) affecting the potential energy of clusters are found using the model with allowance for the exchange symmetry of atoms and the irreducibility of the considered energies of doublet, triplet, and quadruplet atoms and interactions. This allows us to present arguments of the potential energy in the form of summed integral numbers (latticed sums) multiplied by a fixed value of the crystal unit cell parameter, and to set the numerical values of the potential energy arguments as a function of vectors \(\vec r_{ik}\). A potential corresponding to the thermodynamic additivity concept of crystal energy is selected as the model potential of pairwise interaction. Secondand third-order moduli of the rigidity of Co crystals with A1, A2, and HCP structures are calculated using this model of multiatom interactions.



Photoluminescent properties of vitreous semiconductor systems (GeSe2)1–xTlx and (GeSe3)1–xTlx
Abstract
The photoluminescence (PL) of glasses of the (GeSe2)1–xTlx and (GeSe3)1–xTlx systems (0 ≤ x ≤ 0.1) at T = 77 K is studied. PL spectra of Gaussian shape correspond to intrinsic defects with negative correlation energy. It is found that the shapes of the spectra do not change with the growth in x in the systems. No new emission bands are observed, the PL spectra shift toward lower energies, the intensity of emission falls, and its half-width increases. The kinetics of PL fatigue differs for the two systems and is characterized by a single curve for each, irrespective of the Tl content in the system.



Interface tension at the boundary of two condensed phases in a binary system with allowance for nanodimensional effects
Abstract
A new size-dependent equation for an interface tension isotherm of spherical nanoparticles in the macroscopic matrix of a binary system is derived. Macroscopically, it transforms into a relationship that associates the concentrations of bulk phases. By making certain assumptions, the Ostwald–Freundlich formula for the solubility of small particles is obtained. Calculations of the interface tension for nanoprecipitates in a Fe–Cr system at 773 K show a reduction in interface tension as their dimensions shrink.



Evolution of contributions from components of lattice bending–torsion to the elastic component of internal stresses during the deformation of a polycrystal
Abstract
The contributions from the components of lattice bending–torsion to the elastic component of internal stresses are determined and the evolution of these components at various degrees of deformation of 1.1–13Mn–Fe austenitic steel is studied. The components of the internal stress tensor are determined using the parameters of the bending extinction contours observed in electron micrographs of deformed specimens. The results are discussed by comparing them and the defect structure of the deformed steel.



Estimating the surface tension of grain boundaries in pure metals
Abstract
The surface tension of grain boundaries with liquid-like structure in a pure metal is presented as a function of the melting temperature and the molar volume of the metal in the solid state at the temperature of melting. Several empirical expressions for estimating the average surface tension of high-angle GBs at high homologous temperatures are proposed on this basis.



Pyroelectric study of dynamic temperature conductivity
Abstract
The difference between dynamic and static temperature conductivity for solid-state materials is shown by means of TSWM (Thermal Square Wave Method at a Single Frequency). The study is performed with metallic steel and copper alloys.



Structure and dielectric characteristics of (1 – x)BiFeO3–xPbTiO3 solid solutions
Abstract
Undoped (1 – x)BiFeO3–xPbTiO3 binary solid solutions (0 ≤ x ≤ 0.50, Δx = 0.1) are obtained via a solid-state reaction combined with sintering in accordance with conventional ceramic technology. Features of their crystal structure formation and dielectric properties are studied in a wide range of temperatures and frequencies.



The effects of stoichiometric changes in LaMnO3
Abstract
The preparation of LaMnO3 from various precursors via a solid-state reaction combined with codeposition and sorption is found to form perovskite phases with different stoichiometric deviations, depending on the temperature of synthesis. This favors the coexistence of orthorhombic (in solid-phase synthesis) and rhombohedral (in wet synthesis) phases at room temperature.



Electronic structure of SiO2: An X-ray emission spectroscopic and density functional theoretical study
Abstract
The electronic structure of SiO2 is investigated by means of valence to core X-ray emission spectroscopy and quantum-mechanical calculations in the density functional theory approximation. Analysis of a complete set of SiKα1, SiL2, 3, and OKα X-ray emission and XPS spectra along with the calculated data provides comprehensive information on chemical interactions that occur in SiO2.



Modeling heat-transfer processes of resistance spot welding
Abstract
Heat-transfer processes are considered for a model of resistance spot welding. Both numerical and analytical solutions to the heat conduction equation are obtained. Thermal fields are calculated. Welding parameters for low-carbon steel are found.



Density and surface tension of diluted Sn–In alloys
Abstract
The results from measuring the density and surface tension of Sn–In melts via the sessile drop method in a helium atmosphere and at a residual gas pressure of 0.01 Pa are presented. The density polytherms of all samples are linear with negative temperature coefficients. In the range of 550–750°C, the surface tension falls linearly as the temperature rises.



Mössbauer studies of the spectra of 57Fe nuclei in Late Cenozoic endogenous formations of the Eastern Caucasus
Abstract
Three types of manifestations of Late Cenozoic endogenous activity (pyroclastic, hydrothermal explosive, and volcanogenic sedimentary formations) have been found over the last decade in different geostructural zones of the Terek–Caspian foretrough and the Alpine fold–thrust structure in the Eastern Caucasus. The results from Mössbauer studies show that these formations contain fractions of iron and its compounds with complex crystal structures in which 57Fe atoms occupy nonequivalent positions in the lattice with respect to their magnetic and electric fields, exist in different physicochemical states, and occur in various phases of the endogenous process products.


