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1.

Вид документа : Статья из журнала
Шифр издания : 53/П 46
Автор(ы) : Пожарская Г. И., Самохин С. П., Скрипов В. П.
Заглавие : Диффузия броуновских частиц в критической области расслаивания раствора альфа, альфа/штрих-лутидин-вода
Параллельн. заглавия :Diffusion of Brownian Particles in the Critical Region of a,a'-Lutidine-Water Solution Separation
Место публикации : Журнал физической химии. - 1996. - Т. 70, N4. - С. 652-654
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): диффузия раствора--частицы броуновские--броуновские частицы--расслаивание растворов--раствор альфа, альфа/штрих-лутидин-вода--альфа, альфа/штрих-лутидин-вода--альфа, альфа/штрих-лутидин-вода-латекс--альфа, альфа/штрих--лутидин--вода--латекс--спектроскопия корреляционная--корреляционная спектроскопия--область гомогенная--гомогенная область--точка критическая --критическая точка
Аннотация: Методом корреляционной спектроскопии исследована серия растворов альфа, альфа/штрих-лутидин-вода-латекс в гомогенной области существования раствора альфа, альфа/штрих-лутидин-вода в окрестности критической точки расслаивания 10 в -4.5 степени эпсилон
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2.

Вид документа : Статья из журнала
Шифр издания : 53/C 74
Автор(ы) : Protsenko S.P., Baidakov V. G., Teterin A.S., Zhdanov E.R.
Заглавие : Computer simulation of nucleation in a gas-saturated liquid
Место публикации : Journal of Chemical Physics. - 2007. - Vol. 126, № 9. - С. 094502/1-094502/14
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): liquid
Аннотация: Molecular dynamics methods have been used to investigate the kinetics of the liquid-gas phase transition in a two-component Lennard-Jones system at negative pressures and elastic stretches of the liquid to values close to spinodal ones. The molecular dynamics system consists of 2048 interacting particles with parameters of the Lennard-Jones potential for argon and neon. Density dependences of pressure and internal energy have been calculated for stable and metastable states of the mixture at a temperature Tsup*/sup?0.7±0.01 and three values of the concentration. The location of mechanical and the diffusion spinodals has been determined. It has been established that a gas-saturated mixture retains its stability against finite variations of state variables up to stretches close to the values near the diffusion spinodal. The statistic laws of the process of destruction of the metastable state have been investigated. The lifetimes of the metastable phase have been determined. It is shown that owing to the small height of the potential barrier that separates the microheterogeneous from the homogeneous state a system of finite size has a possibility to make the reverse transition from the microheterogeneous into the homogeneous state. The lifetimes of the system in the microheterogeneous state, as well as the expectation times of the occurrence of a critical nucleus, are described by Poissonian distributions.
\\\\Expert2\\NBO\\Journal of Chemical Physics\\2007, v.126, p.094502, S.P.Protsenko.pdf
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3.

Вид документа : Статья из журнала
Шифр издания : 53/M 79
Автор(ы) : Galashev A. E., Polukhin V. A., Izmodenov I. A., Rakhmanova O. R.
Заглавие : Molecular dynamics simulation of the physicochemical properties of silicon nanoparticles containing 73 atoms
Место публикации : Glass Physics and Chemistry. - 2007. - Vol. 33, № 1. - С. 86-95
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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
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4.

Вид документа : Статья из журнала
Шифр издания : 53/S 61
Автор(ы) : Galashev A. E., Polukhin V. A., Izmodenov I. A., Rakhmanova O. R.
Заглавие : Simulation of noncrystalline silicon nanoparticles: a computer experiment
Место публикации : Glass Physics and Chemistry. - 2006. - Vol. 32, № 1. - С. 99-105
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): silicon
Аннотация: The physical properties of vitreous and amorphous silicon nanoparticles containing 300, 400, and 500 atoms are investigated by the molecular dynamics method. For a limited number of degrees of freedom, the internal energy of the amorphous phase is often less than the internal energy of the vitreous phase. The structure of the central region of silicon nanoparticles is studied in detail by constructing Voronoi polyhedra, which make it possible to determine the mean length of bonds and their number. The differences between the structures of nanoparticles in the amorphous and vitreous states are determined by the differences in the distribution of angles between Si-Si bonds and the distribution of bond lengths. Local arrangements of atoms in vitreous silicon nanoparticles are characterized by larger variations in the interatomic distances. The self-diffusion coefficients determined from mean-square atomic displacements are smaller for amorphous nanoparticles due to dominant diffusion over dangling Si-Si bonds.
\\\\Expert2\\NBO\\Glass Physics and Chemistry\\2006, v. 32, N. 1, p.99.pdf
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5.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Chukanov V. N.
Заглавие : Computer Simulation of the Stability of Water Clusters Containing Nitrogen Oxide Molecules
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2004. - Vol. 66, № 5. - С. 523-530
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): water clusters
Аннотация: The stability of water clusters containing nitrogen oxide molecules is studied by the molecular dynamics method. The composition and size of thermodynamically stable heteroclusters are determined. The inclusion of two molecules of nitrogen oxide into aggregates containing seven or more water molecule increases the cluster stability. The correlation between the stability of heteroclusters and the ratio of self-diffusion coefficients of molecules of different kinds is observed. The real part of the cluster permittivity is maximal in the vicinity of the frequency of 200 cm–1. The inclusion of nitrogen oxide molecules into water clusters increases the characteristic frequency of dielectric relaxation. In general, heteroclusters are more stable with respect to perturbations caused by an external electric field than pure clusters with the same number of water molecules. The clusterization of water vapors accompanied by absorption of polar molecules of impurity favors a decrease in the greenhouse effect.
\\\\Expert2\\NBO\\Colloid Journal\\2004, V.66, N5,523.pdf
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6.

Вид документа : Статья из журнала
Шифр издания : 53/O-39
Автор(ы) : Okonishnokov G.B., Skripov V.P.
Заглавие : Solubility and Diffusion of Carbon Dioxide in Poly(methyl Methacrylate)
Место публикации : Polymer Science. Series B. - 1973. - V.15, N12. - С. 890-893
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): solubility of carbon dioxide--diffusion of carbon dioxide--carbon dioxide--poly (methyl methacrylate)
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7.

Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Kozlova Z. R.
Заглавие : The self-diffusion coefficient in stable and metastable states of the Lennard-Jones fluid
Место публикации : Fluid Phase Equilibria. - 2011. - Vol. 305, № 2. - С. 106-113
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): lennard-jones fluid--vapor--superheated liquids
Аннотация: Molecular-dynamics simulations have been employed to calculate the self-diffusion coefficient of a Lennard-Jones fluid for 198 sets of state parameters in the range of temperatures 0.35
\\\\Expert2\\nbo\\Fluid Phase Equilibria\\2011, v.305, p. 106-113.pdf
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8.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Kozlova Z. R.
Заглавие : The self-diffusion coefficient in metastable states of a Lennard-Jones fluid
Место публикации : Chemical Physics Letters. - 2010. - Vol.500, №1-3. - С. 23-27
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular-dynamics simulation--critical points--viscosity
Аннотация: Molecular-dynamics computer simulation has been used to calculate the self-diffusion coefficient of a Lennard-Jones fluid in the interval of reduced temperatures T* = 0.35-2.0, through mean-squared particles displacements and the velocity autocorrelation function. Calculations have been performed for systems in stable and metastable states up to the boundary of spontaneous nucleation in a model of a fluid consisting of 2048 particles. The values of the self-diffusion coefficient on the spinodals of a superheated liquid and supersaturated vapor have been determined. It has been established that in the region of supercooled states of the liquid phase on an isotherm the logarithm of the self-diffusion coefficient is a linear function of the pressure
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9.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Kaverin A. M., Boltachev G. Sh.
Заглавие : Experimental investigations of nucleation in helium-oxygen mixtures
Место публикации : Journal of Physical Chemistry B. - 2002. - Vol.106, №1. - С. 167-175
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): supersaturated solutions--homogeneous nucleation--surface tension
Аннотация: The paper presents the results of experimental investigations of nucleation in helium-oxygen gas-filled mixtures. Temperature dependences of the mean lifetime of a mixture in the metastable (superheated) state have been determined, and nucleation rates have been calculated by experiments at fixed pressures of 1.171 and 1.667 MPa and at several values of concentrations. Experimental data are compared with results of the homogeneous nucleation theory in a macroscopic (capillary) approximation and with allowance for the dependence of the properties of nuclei on the curvature of their dividing surface. The size effect of nucleation is taken into account in the framework of the van der Waals, Cahn-Hilliard method. The equation of state of the mixture has been built, and the boundary of stability of homogeneous states, the diffusion spinodal, has been determined. The paper discusses the problems of building a nucleation theory for gas-filled mixtures and states a good agreement between theory and experiment at nucleation rates J similar or equal to 10(7) m(-1) s(-1) when the size effect in nucleation is taken into account
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10.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G.
Заглавие : Attainable superheating of solutions of cryogenic liquids
Место публикации : Journal of Engineering Thermophysics. - 2007. - Vol.16, №3. - С. 109-118
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): boiling-up--cryogenic liquids --kramers-zeldovich method
Аннотация: The kinetics of spontaneous boiling-up of superheated binary solutions of cryogenic liquids is studied. Within the framework of the Kramers-Zeldovich method, an expression is obtained for the steady state rate of homogeneous nucleation in a solution that takes into account free-molecular and diffusion regimes of the substance supply to a growing bubble. Viscous and inertial forces are also taken into account in the study of the nucleus growth dynamics. The work of critical nucleus formation is determined within the framework of the Gibbs and van der Waals capillarity theories. The dependence of the surface tension of critical bubbles in the solution on their size is investigated. The temperature of attainable superheating and nucleation rates in superheated solutions of cryogenic liquids with complete or partial solubility of the components are determined by a method of lifetime measurement. The experiments were conducted in a wide range of pressures and solution concentrations. The measurement results are compared with the theory of homogeneous nucleation taking or not taking into account the size effect in nucleation. It has been found that, by taking into account the size dependence of the surface tension of a nucleus, better agreement between the theory and experiment is obtained. The boundary of essential instability of the solution, that is, the diffusion spinodal, is computed
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