G 15 Galashev, A. E. Molecular-dynamic calculation of the thermal properties of stable BCC and metastable FCC sodium crystals [Text] / A. E. Galashev // Heat Transfer. - 1985. - N 4. Рубрики: ФИЗИКА Кл.слова (ненормированные): РАСЧЕТ МОЛЕКУЛЯРНО-ДИНАМИЧЕСКИЙ -- МОЛЕКУЛЯРНО-ДИНАМИЧЕСКИЕ РАСЧЕТЫ -- СВОЙСТВА ТЕРМИЧЕСКИЕ -- ТЕРМИЧЕСКИЕ СВОЙСТВА -- BCC РАСТВОРИМЫЙ -- РАСТВОРИМЫЙ BCC -- FCC РАСТВОРИМЫЙ -- РАСТВОРИМЫЙ FCC -- BCC КРИСТАЛЛИЧЕСКИЙ -- КРИСТАЛЛИЧЕСКИЙ BCC -- BCC СТАБИЛЬНЫЙ -- СТАБИЛЬНЫЙ BCC -- FCC КРИСТАЛЛИЧЕСКИЙ -- КРИСТАЛЛИЧЕСКИЙ FCC -- FCC МЕТАСТАБИЛЬНЫЙ -- МЕТАСТАБИЛЬНЫЙ FCC -- ТЕПЛОФИЗИКА |
G 15 Galashev, A. E. On the physical nature of the instability of crystalline clusters [Text] / A. E. Galashev, I. G. Mukhina // 7 International Conference on Surface and Coloid Science (France, Compiegne, 1991, 7-13 July). - 1991. - P1 Рубрики: ФИЗИКА Кл.слова (ненормированные): НЕУСТОЙЧИВОСТЬ КЛАСТЕРОВ -- КЛАСТЕРЫ КРИСТАЛЛИЧЕСКИЕ -- КРИСТАЛЛИЧЕСКИЕ КЛАСТЕРЫ -- ФИЗИКА -- КОНФЕРЕНЦИИ -- ДОКЛАДЫ |
G 15 Galashev, A. E. Creation of sodium crystal modifications by molecular-dynamic modeling [Text] / A. E. Galashev // . - Abstr. - 447 Рубрики: ФИЗИКА Кл.слова (ненормированные): НАТРИЙ КРИСТАЛЛИЧЕСКИЙ -- КРИСТАЛЛИЧЕСКИЙ НАТРИЙ -- МОДЕЛИ МОЛЕКУЛЯРНО-ДИНАМИЧЕСКИЕ -- МОЛЕКУЛЯРНО-ДИНАМИЧЕСКИЕ МОДЕЛИ -- НАТРИЙ -- Na (НАТРИЙ) -- ТЕПЛОФИЗИКА -- СИМПОЗИУМЫ -- ТЕЗИСЫ ДОКЛАДОВ |
G 15 Galashev, A. E. Criterios of vitrification transition in the computer experiment [Text] / A. E. Galashev, V. P. Skripov // Liquid Matter Conference (Firenze, Italy, 1993, 18-22 Sept.). - 1993. - P223 Рубрики: ФИЗИКА Кл.слова (ненормированные): СТЕКЛООБРАЗОВАНИЕ -- ЭКСПЕРИМЕНТЫ КОМПЬЮТЕРНЫЕ -- КОМПЬЮТЕРНЫЕ ЭКСПЕРИМЕНТЫ -- ТЕПЛОФИЗИКА -- КОНФЕРЕНЦИИ |
G 15 Galashev, A. E. Stability and Mechanism of disordering of crystals with Lennard-Jones Interaction of particles [Text] / A. E. Galashev // Fluid Mechanics - Soviet Research. - 1991. - V. 20, N 1. - P123-130 Рубрики: ФИЗИКА Кл.слова (ненормированные): СТАБИЛЬНОСТЬ КРИСТАЛЛОВ -- РАЗУПОРЯДОЧЕНИЕ КРИСТАЛЛОВ -- ВЗАИМОДЕЙСТВИЕ ЛЕННАРД-ДЖОНСА -- ЛЕННАРД-ДЖОНСОВСКИЕ ВЗАИМОДЕЙСТВИЯ -- ТЕПЛОФИЗИКА |
G 15 Galashev, A. E. Structural modifications of crystalline sodium in the molecular-dynamic model [Text] / A. E. Galashev ; // RUSSIAN METALLURGY. - 1998. - N6. - P118-124 Рубрики: ФИЗИКА Кл.слова (ненормированные): NUCLEATION -- SIMULATION |
G 15 Galashev, A. E. Utilisation of the method of "statistical geometry" for investigating the structure of simple liquid and crystal in a molecular-mechanical model [Text] / A. E. Galashev // Fluid Mechanics - Soviet Research. - 1984. - N2. Рубрики: ФИЗИКА Кл.слова (ненормированные): МЕТОД СТАТИСТИЧЕСКОЙ ГЕОМЕТРИИ -- жидкости простые -- КРИСТАЛЛЫ -- МОДЕЛЬ МОЛЕКУЛЯРНО-ДИНАМИЧЕСКАЯ -- ГЕОМЕТРИЯ СТАТИСТИЧЕСКАЯ |
G 15 Galashev, A. E. Computer investigation of the structure of Si73 clusters surrounded by hydrogen [Текст] / A. E. Galashev, I. A. Izmodenov // Glass Physics and Chemistry. - 2008. - Vol. 34, № 2. - С. 173-181 Рубрики: ФИЗИКА Кл.слова (ненормированные): HYDROGEN Аннотация: The stabilization of the structure of Si73 clusters that are surrounded by 60 hydrogen atoms and subjected to seventeenfold stepwise heating from 35 to 1560 K (in steps of ?90 K) is investigated using the molecular dynamics method. The analysis is performed for clusters of three types, i.e., a particle assembled from an icosahedron and a fullerene, a nanocrystal, and a particle with a random atomic packing. In all cases, an increase in the temperature in the course of heating is accompanied by evaporation of a Si atom from the clusters and an increase in the size of silicon particles. The temperature of detachment of Si atoms from clusters is lowest for the cluster with a random atomic packing and highest for the nanocrystal. The nanoassembled particle has the most stable number (close to four) of Si-Si bonds per atom over the entire temperature range 35 ? T ? 1560 K. For each type of Si73 clusters, the mean length of the Si-Si bond decreases with an increase in the temperature. According to the radial distribution functions, the Si73 clusters have different structures even at the temperature T = 1560 K. The distributions of bond angles reflect the presence of fourfold symmetry elements in the nanoassembled cluster and the nanocrystal. The relative depth of “penetration” of hydrogen atoms into the cluster is largest for the nanocrystal and smallest for the nanoassembled nanoparticle. The largest number of hydrogen atoms is “adsorbed” on the particle with a random atomic packing. \\\\Expert2\\NBO\\Glass Physics and Chemistry\\2008, v. 34, N 2, p.173.pdf |
N 89 Novruzov, A. N. Computer study of the absorption of ethane by aqueous ultradispersed medium: IR spectra [Текст] / A. N. Novruzov, O. R. Rakhmanova, A. E. Galashev // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2008. - Vol. 70, № 1. - С. 55-63 Рубрики: ФИЗИКА Кл.слова (ненормированные): IR SPECTRA Аннотация: Absorption of ethane molecules by water clusters containing 10–20 molecules is studied by the molecular dynamics method. The (H2O) n (I), C2H6(H2O) n (II), and (C2H6)2(H2O) n (III) cluster systems are composed on the basis of specific statistical weights. Spectral characteristics of system and single clusters are determined in the frequency range of 0 меньше либо равно омега меньше либо равно 1000 cm в степени -1. In this frequency range, both real and imaginary parts of dielectric permittivity decrease monotonically after the absorption of C2H6 molecules by an aqueous ultradispersed system. Integral coefficient of IR absorption increases, while average (over frequency) reflection coefficient decreases after the absorption of ethane molecules. The intensity of IR scattering by the systems of clusters containing C2H6 molecules lowers. Maximal values of radiation power for water clusters with various sizes are balanced with the capture of ethane molecules by the clusters, whereas oscillations in the size dependence of the density of electrons that are active with respect to IR radiation decrease. \\\\Expert2\\NBO\\Colloid Journal\\2008, V.70, N 1, 55.pdf |
N 89 Novruzova, O. A. Numerical simulation of IR absorption, reflection, and scattering in dispersed water-oxygen media [Текст] / O. A. Novruzova, A. E. Galashev // High Temperature. - 2008. - Vol. 46, № 1. - С. 60-68 Рубрики: ФИЗИКА Кл.слова (ненормированные): IR ABSORPTION Аннотация: The method of molecular dynamics along with the flexible model of molecules are used to study the spectral characteristics of systems of clusters of (H2O) n , (O2) m (H2O) n , and (O) i (H2O) n , m меньше либо равно 2, i меньше либо равно 4, 10 меньше либо равно n меньше либо равно 50. It is demonstrated that the integral intensity of absorption of IR radiation decays after water clusters adsorb oxygen. In addition, the adsorption of oxygen causes a significant decrease in the reflection coefficient R of monochromatic IR radiation. In so doing, the R(?) spectrum splits into bands and exhibits seven peaks in the frequency region of 0 меньше либо равно омега меньше либо равно 3500 cm в степени -1. The dissociation of oxygen molecules captured by clusters makes the peaks of R(омега) spectrum more resolved. The attachment of molecular oxygen by clusters leads to decay of the power of their IR radiation, while the capture of atomic oxygen, on the contrary, is accompanied by an increase in the rate of dissipation of energy accumulated by water aggregates. \\\\Expert2\\NBO\\High Temperature\\2008, v.46, p.60.pdf |
S 89 Structure of water clusters interacting with gaseous acetylene [Текст] / A. N. Novruzov, O. R. Rakhmanova, O. A. Novruzova, A. E. Galashev // Khimicheskaya Fizika. - 2008. - Vol. 27, № 1. - С. 37-45 Рубрики: ФИЗИКА Кл.слова (ненормированные): CLUSTERS |
D 47 Determination of acetylene solubility in dispersed water by computer simulation [Текст] / A. N. Novruzov, O. R. Rakhmanova, O. A. Novruzova, A. E. Galashev // Neftekhimiya. - 2007. - Vol. 47, № 6. - С. 474-480 Рубрики: ФИЗИКА Кл.слова (ненормированные): ACETYLENE |
E 43 Elastic properties and stability of crystalline silicon nanoparticles. Computer experiment. [Текст] / A. E. Galashev, V. A. Polukhin, I. A. Izmodenov, O. A. Galasheva // Poverkhnost. - 2007. - № 10. - С. 60-67 Рубрики: ФИЗИКА Кл.слова (ненормированные): ELASTIC PROPERTIES |
C 74 Computer study of physical and chemical properties of stretched noncrystalline silicon nanoparticles [Текст] / A. E. Galashev, I. A. Izmodenov, O. R. Rakhmanova, O. A. Novruzova // Poverkhnost. - 2007. - № 8. - С. 95-103 Рубрики: ФИЗИКА Кл.слова (ненормированные): PHYSICAL PROPERTIES |
M 79 Molecular dynamics calculation of IR absorption spectra of molecular clusters [Текст] / O. A. Novruzova, A. N. Novruzov, O. R. Rakhmanova, A. E. Galashev // Khimicheskaya Fizika. - 2007. - Vol. 26, № 7. - С. 74-79 Рубрики: ФИЗИКА Кл.слова (ненормированные): MOLECULAR DYNAMICS |
N 89 Novruzova, O. A. IR spectra of aqueous disperse systems adsorbed atmospheric gases: 1. Nitrogen [Текст] / O. A. Novruzova, A. A. Galasheva, A. E. Galashev // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2007. - Vol. 69, № 4. - С. 474-482 Рубрики: ФИЗИКА Кл.слова (ненормированные): IR SPECTRA Аннотация: Spectral characteristics of (H2O) i , N2(H2O) i , and (N2)2(H2O) i cluster systems, where 10 меньше либо равно i меньше либо равно 50, are studied in the 0 меньше либо равно эпсилон меньше либо равно 3500 cm в степени -1 frequency range with the molecular dynamics method on the basis of a flexible molecule model. After nitrogen is captured by an aqueous disperse system, the absorption of the IR radiation by this system increases owing to the enhancement of intramolecular vibrations. In general, the reflection of the outer IR radiation by nitrated aqueous disperse systems is attenuated; however, when the nitrogen concentration increases twofold, there is a tendency toward an increase in the fraction of reflected radiation. As the nitrogen concentration in a system of water clusters rises, the power of radiation emitted by the system increases significantly and the number of electrons interacting with the outer IR radiation decreases. \\\\Expert2\\NBO\\Colloid Journal\\2007, V.69, N4,474.pdf |
C 74 Computer study of temperature dependence of physical properties of noncrystalline silicon nanoparticles [Текст] / A. E. Galashev, I. A. Izmodenov, O. A. Novruzova, A. N. Novruzov // Poverkhnost. - 2007. - № 5. - С. 74-81 Рубрики: ФИЗИКА Кл.слова (ненормированные): PHYSICAL PROPERTIES |
G 15 Galashev, A. E. Molecular dynamics calculation of spectral characteristics and dielectric properties of water clusters [Текст] / A. E. Galashev, O. R. Rakhmanova, V. N. Chukanov // Khimicheskaya Fizika. - 2005. - Vol. 24, № 3. - С. 90-96 Рубрики: ФИЗИКА Кл.слова (ненормированные): MOLECULAR DYNAMICS |
S 61 Simulation of dielectric properties and stability of clusters (H2O)i, CO2(H2O)i, and CH4(H2O)i [Текст] / A. E. Galashev, V. N. Chukanov, A. N. Novruzov, O. A. Novruzova // Russian Journal of Electrochemistry. - 2007. - Vol. 43, № 2. - С. 136-145 Рубрики: ФИЗИКА Кл.слова (ненормированные): DIELECTRIC PROPERTIES \\\\Expert2\\NBO\\Russian Journal of Electrochemistry\\2007, v. 43, N 2, p.136.pdf |
M 79 Molecular dynamics simulation of the physicochemical properties of silicon nanoparticles containing 73 atoms [Текст] / A. E. Galashev, V. A. Polukhin, I. A. Izmodenov, O. R. Rakhmanova // Glass Physics and Chemistry. - 2007. - Vol. 33, № 1. - С. 86-95 Рубрики: ФИЗИКА Кл.слова (ненормированные): MOLECULAR DYNAMICS Аннотация: The physicochemical properties of 73-atom silicon nanoparticles that have a crystal structure, a random atomic packing, and a packing formed by inserting a 13-atom icosahedron into a 60-atom fullerene are investigated using the molecular dynamics method. Analysis of the behavior of the internal energy, the radial distribution function, the distribution of bond angles, and the specific heat at a constant pressure C p in the temperature range 10–1710 K indicates that a crystalline nanoparticle undergoes melting at a temperature of 710 K and that the structural transformations occurring in particles with an irregular atomic packing exhibit specific features. It is demonstrated that the temperature dependence of the self-diffusion coefficient follows a linear behavior. Local deviations from the linear behavior are most pronounced for the crystalline nanoparticle. \\\\Expert2\\NBO\\Glass Physics and Chemistry\\2007, v. 33, N 1, p.85.pdf |