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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/P 93
Автор(ы) : Protsenko S.P., Baidakov V.G., Komarov A.Y.
Заглавие : Tensile Strength of two-dimensional Lennard-Jones Crystals. 1. Static Aspect : Static Aspect
Место публикации : Journal of Structural Chemistry (Russia). - 1995. - V.36, Is.1. - С. 36-42
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): crystal lennard-jones--aspect static--crystal two-dimensional--dependence of temperature--isotherms
Аннотация: The molecular dynamic method is employed to study the thermodynamic perameters of a two-dimensional Lennard-Jones crysyal at negative pressures. The calculations are performed for five isotherms. The lowest temperature approaches absolute zero, and the highest temperature is 35% lower that than of the triple point. The limits of attainable tension and the thermodynamic stability of the crystal as well as the lifetimes of the ultimately strained states and the relaxation times in a disordering in the crystal are estimated. The thermal characteristics of disordering in the crystalline state are revealed and investigated
\\\\Cserver\\dist\\НБО\\Электронная библиотека_Библиогр1\\Journal of Structural Chemistry\\1995, V. 36, N 1, p.36.pdf
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4.

Вид документа : Статья из журнала
Шифр издания : 53/P 93
Автор(ы) : Protsenko S.P., Baidakov V.G., Komarov A.Y.
Заглавие : Tensile Strength of two-dimensional Lennard-Jones Crystals. 1. Static Aspect : Static Aspect
Место публикации : Journal of Structural Chemistry (Russia). - 1995. - V.36, Is.1. - С. 36-42
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): crystal lennard-jones--aspect static--crystal two-dimensional--dependence of temperature--isotherms
Аннотация: The molecular dynamic method is employed to study the thermodynamic perameters of a two-dimensional Lennard-Jones crysyal at negative pressures. The calculations are performed for five isotherms. The lowest temperature approaches absolute zero, and the highest temperature is 35% lower that than of the triple point. The limits of attainable tension and the thermodynamic stability of the crystal as well as the lifetimes of the ultimately strained states and the relaxation times in a disordering in the crystal are estimated. The thermal characteristics of disordering in the crystalline state are revealed and investigated
\\\\Cserver\\dist\\НБО\\Электронная библиотека_Библиогр1\\Journal of Structural Chemistry\\1995, V. 36, N 1, p.36.pdf
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5.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Chernykh G. G., Protsenko S.P.
Заглавие : Liquid-vapor equilibrium and surface tension in Lennard-Jones systems
Место публикации : Russian Journal of Physical Chemistry A. - 2000. - Vol.74, №8. - С. 1241-1245
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): lennard-jones system--thermodynamic properties --liquid-vapor
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6.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Chernykh G. G., Protsenko S.P.
Заглавие : Liquid-vapor equilibrium and surface tension in Lennard-Jones systems
Место публикации : Russian Journal of Physical Chemistry A. - 2000. - Vol.74, №8. - С. 1241-1245
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): lennard-jones system--thermodynamic properties --liquid-vapor
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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 :
Шифр издания : 53/S 81
Автор(ы) : Baidakov V. G., Protsenko S.P., Chernykh G. G., Boltachev G. Sh.
Заглавие : Statistical substantiation of the van der Waals theory of inhomogeneous fluids
Место публикации : Physical Review E: Statistical, Nonlinear, and Soft Matter Physics. - 2002. - Vol.65, №4. - С. 041601-041617
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): lennard-jones fluid--van-der-waals theory --molecular dynamics
Аннотация: Computer experiments on simulation of thermodynamic properties and structural characteristics of a Lennard-Jones fluid in one- and two-phase models have been performed for the purpose of checking the base concepts of the van der Waals theory. Calculations have been performed by the method of molecular dynamics at cutoff radii of the intermolecular potential rc,1=2.6σ and rc,2=6.78σ. The phase equilibrium parameters, surface tension, and density distribution have been determined in a two-phase model with a flat liquid-vapor interface. The strong dependence of these properties on the value of rc is shown. The p,ρ,T properties and correlation functions have been calculated in a homogeneous model for a stable and a metastable fluid. An equation of state for a Lennard-Jones fluid describing stable, metastable, and labile regions has been built. It is shown that at T~1.1 the properties of a flat interface within the computer experimental error can be described by the van der Waals square-gradient theory with an influence parameter κ independent of the density. Taking into account the density dependence of κ through the second moment of the direct correlation function will deteriorate the agreement of the theory with data of computer simulation. The contribution of terms of a higher order than (∇ρ)2 to the Helmholtz free energy of an inhomogeneous system has been considered. It is shown that taking into account terms proportional to (∇ρ)4 leaves no way of obtaining agreement between the theory and simulation data, while taking into consideration of terms proportional to (∇ρ)6 makes it possible to describe with adequate accuracy all the properties of a flat interface in the temperature range from the triple to the critical point
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10.

Вид документа :
Шифр издания : 53/S 81
Автор(ы) : Baidakov V. G., Protsenko S.P., Chernykh G. G., Boltachev G. Sh.
Заглавие : Statistical substantiation of the van der Waals theory of inhomogeneous fluids
Место публикации : Physical Review E: Statistical, Nonlinear, and Soft Matter Physics. - 2002. - Vol.65, №4. - С. 041601-041617
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): lennard-jones fluid--van-der-waals theory --molecular dynamics
Аннотация: Computer experiments on simulation of thermodynamic properties and structural characteristics of a Lennard-Jones fluid in one- and two-phase models have been performed for the purpose of checking the base concepts of the van der Waals theory. Calculations have been performed by the method of molecular dynamics at cutoff radii of the intermolecular potential rc,1=2.6σ and rc,2=6.78σ. The phase equilibrium parameters, surface tension, and density distribution have been determined in a two-phase model with a flat liquid-vapor interface. The strong dependence of these properties on the value of rc is shown. The p,ρ,T properties and correlation functions have been calculated in a homogeneous model for a stable and a metastable fluid. An equation of state for a Lennard-Jones fluid describing stable, metastable, and labile regions has been built. It is shown that at T~1.1 the properties of a flat interface within the computer experimental error can be described by the van der Waals square-gradient theory with an influence parameter κ independent of the density. Taking into account the density dependence of κ through the second moment of the direct correlation function will deteriorate the agreement of the theory with data of computer simulation. The contribution of terms of a higher order than (∇ρ)2 to the Helmholtz free energy of an inhomogeneous system has been considered. It is shown that taking into account terms proportional to (∇ρ)4 leaves no way of obtaining agreement between the theory and simulation data, while taking into consideration of terms proportional to (∇ρ)6 makes it possible to describe with adequate accuracy all the properties of a flat interface in the temperature range from the triple to the critical point
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