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Общее количество найденных документов : 64
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1.

Вид документа : Статья из журнала
Шифр издания : 53/P 93
Автор(ы) : Protsenko S.P., Baidakov V.G.
Заглавие : A molecular-dynamic study of a system of Lennard-Jones disks in the region of the liquid-gas transition: dynamics, structure, thermodynamic properties
Место публикации : Fluid Mechanics - Soviet Research. - 1987. - V.16, N5. - С. 66-78
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): система леннард-джонса--переход жидкости-газ--свойства термодинамические--системы магнитные--леннард-джонса система--жидкость-газ--жидкость--газ
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2.

Вид документа : Статья из журнала
Шифр издания : 53/P 93
Автор(ы) : Protsenko S.P., Baidakov V.G.
Заглавие : A molecular-dynamic study of a system of Lennard-Jones disks in the region of the liquid-gas transition: dynamics, structure, thermodynamic properties
Место публикации : Fluid Mechanics - Soviet Research. - 1987. - V.16, N5. - С. 66-78
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): система леннард-джонса--переход жидкости-газ--свойства термодинамические--системы магнитные--леннард-джонса система--жидкость-газ--жидкость--газ
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3.

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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4.

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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5.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P.
Заглавие : Computer simulation of nucleation in a liquid under tension
Место публикации : Doklady Physics. - 2004. - Vol.49, №2. - С. 69-72
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): monte carlo --molecular dynamic method --liquids
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6.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P.
Заглавие : Computer simulation of nucleation in a liquid under tension
Место публикации : Doklady Physics. - 2004. - Vol.49, №2. - С. 69-72
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): monte carlo --molecular dynamic method --liquids
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7.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Chernykh G. G., Protsenko S.P.
Заглавие : Effect of the cut-off radius of the intermolecular potential on phase equilibrium and surface tension in Lennard–Jones systems
Место публикации : Chemical Physics Letters. - 2000. - Vol.321, №3-4. - С. 315-320
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular-dynamics simulation--liquid-vapor interface--lennard-jones fluid
Аннотация: We present the molecular dynamic simulation results for the liquid–vapour interface of the pure Lennard–Jones fluid. The thermodynamical properties, the surface tension, the effective thickness of interfacial layer and the mean-square amplitude of capillary waves are determined. Calculations have been performed at cut-off radii of the intermolecular potential rc1=2.6σ and rc2=6.78σ. It is shown that the cut-off radius of the interaction potential in the two-phase systems should be chosen to be larger than that in the one-phase systems for an adequate representation of properties
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8.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Chernykh G. G., Protsenko S.P.
Заглавие : Effect of the cut-off radius of the intermolecular potential on phase equilibrium and surface tension in Lennard–Jones systems
Место публикации : Chemical Physics Letters. - 2000. - Vol.321, №3-4. - С. 315-320
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular-dynamics simulation--liquid-vapor interface--lennard-jones fluid
Аннотация: We present the molecular dynamic simulation results for the liquid–vapour interface of the pure Lennard–Jones fluid. The thermodynamical properties, the surface tension, the effective thickness of interfacial layer and the mean-square amplitude of capillary waves are determined. Calculations have been performed at cut-off radii of the intermolecular potential rc1=2.6σ and rc2=6.78σ. It is shown that the cut-off radius of the interaction potential in the two-phase systems should be chosen to be larger than that in the one-phase systems for an adequate representation of properties
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9.

Вид документа : Статья из журнала
Шифр издания : 53/E 93
Автор(ы) : Ionov G. V., Dremov V. V., Karavaev A. V., Protsenko S.P., Baidakov V. G., Tipeev A. O.
Заглавие : Evaluation of metastable region boundaries for liquid and solid states in MD simulations [Электронный ресурс]
Место публикации : Journal of Physics : Condensed Matter. - 2014. - Vol.500, №17. - С. Article number 172004
Систем. требования: http://www.scopus.com/record/display.url?eid=2-s2.0-84902335896&origin=resultslist&sort=plf-f&src=s&st1=Baidakov&st2
Примечания : Bibliogr. : (6 ref) . - 26.08.2014
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): diffusion--dynamic loads--liquids
Аннотация: An automatic method based on MD simulations was developed for detecting and tracing the boundaries of metastable states of superheated crystal and supercooled liquid. The main criterion of the detection of early nucleation of new phase is the self-diffusion coefficient temperature dependence. The scanning for nucleation events is performed at continuous temperature change. The set of independent nucleation events at a given pressure allows evaluation of temperature dependence of specific nucleation frequency. The collection of a large number of these calculations allows accurate approximation of pressure and temperature dependence of the specific nucleation frequency in both directions between phases. This dependence allows estimating the behavior of the free energy in the region between superheating and supercooling curves. In addition, dependence of nucleation frequency on pressure and temperature provides an opportunity to integrate the probability of nucleation under dynamic loading and subsequent release and thus to determine the likelihood of the crystallization and melting. The technique was applied to tin. MD simulation was carried out with the help of the EAM interatomic potential, well reproducing the properties of BCC phase.
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10.

Вид документа : Статья из журнала
Шифр издания : 53/E 93
Автор(ы) : Ionov G. V., Dremov V. V., Karavaev A. V., Protsenko S.P., Baidakov V. G., Tipeev A. O.
Заглавие : Evaluation of metastable region boundaries for liquid and solid states in MD simulations [Электронный ресурс]
Место публикации : Journal of Physics : Condensed Matter. - 2014. - Vol.500, №17. - С. Article number 172004
Систем. требования: http://www.scopus.com/record/display.url?eid=2-s2.0-84902335896&origin=resultslist&sort=plf-f&src=s&st1=Baidakov&st2
Примечания : Bibliogr. : (6 ref) . - 26.08.2014
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): diffusion--dynamic loads--liquids
Аннотация: An automatic method based on MD simulations was developed for detecting and tracing the boundaries of metastable states of superheated crystal and supercooled liquid. The main criterion of the detection of early nucleation of new phase is the self-diffusion coefficient temperature dependence. The scanning for nucleation events is performed at continuous temperature change. The set of independent nucleation events at a given pressure allows evaluation of temperature dependence of specific nucleation frequency. The collection of a large number of these calculations allows accurate approximation of pressure and temperature dependence of the specific nucleation frequency in both directions between phases. This dependence allows estimating the behavior of the free energy in the region between superheating and supercooling curves. In addition, dependence of nucleation frequency on pressure and temperature provides an opportunity to integrate the probability of nucleation under dynamic loading and subsequent release and thus to determine the likelihood of the crystallization and melting. The technique was applied to tin. MD simulation was carried out with the help of the EAM interatomic potential, well reproducing the properties of BCC phase.
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