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EN
In this work, we propose a new approach to accurate calculation of heat capacities at constant volume and pressure of TiO₂ anatase and rutile. The evaluation model is based on the Einstein-Debye approximation which has been extensively used in solid state physics. The application of proposed approach to anatase and rutile titanium dioxide computations results is shown to be well numerically satisfactory. This approach is valid in wide temperature ranges and can be suggested for accurate evaluation of thermal properties of solids. The calculation results are in well agreement with the literature values reported by other studies.
EN
The structural and elastic properties of NbN₂ at high pressures were investigated through the first-principles calculation. Results indicate that NbN₂ is a potential hard material. NbN₂ meets mechanical stability criteria and possesses ductility within the pressure of 100 GPa. The elastic anisotropy under high pressure was achieved by the elastic anisotropy factors, which reduce with increasing pressure. Using the quasi-harmonic Debye model, we also investigated the thermodynamic properties of NbN₂.
3
Content available remote Elastic properties of (PbySn1−y )2P2S6 solid solutions
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EN
Elastic properties of (PbySn1−y )2P2S6 solid solutions were studied using Brillouin scattering technique. Different scattering geometries were used for sound velocities determination that make it possible to find all components of the stiffness tensor. The concentration dependencies of volume compressibility, the Grüneisen parameter and Debye temperature were investigated. The results obtained were used to analyze chemical bonding with substitution of tin by lead at room temperature in the crystals under consideration.
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EN
The elastic properties of vanadium tellurite glasses, 65TeO2-(35-x) V2O5-xCuO, with different compositions of Copper (x = 7.5 to 17.5 mol% in steps of 2.5 mol%) have been studied at room temperature (300 K). The ultrasonic velocity measurements have been made, using a transducer having resonating frequency of 4 MHz (both longitudinal and shear). The density, molar volume, and ultrasonic velocities show interesting features, which are used to explore the structural changes in the network. Elastic moduli, Poisson ratio, crosslink density, Microhardnes, and Debye temperature of the glasses have been determined using the experimental data. The composition dependence of the elastic properties explores useful information about the physical properties of the vanadium tellurite glasses doped with Copper. Quantitative analysis has been carried out in order to obtain more information about the structure of the glass under the study, based on bond compression model and the Makishima & Mackenzie model. The observed results through ultrasonic nondestructive evaluation, investigate the structural changes and mechanical properties of the glass.
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