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Общее количество найденных документов : 64
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1.

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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2.

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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3.

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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4.

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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5.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Gorbatovskaya G. G.
Заглавие : First correction to surface tension for the curvature of an interface
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2009. - Vol.71, №4. - С. 437-445
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): liquid-vapor interface--molecular dynamics--pressure tensor
Аннотация: Tolman parameter delta(T), which determines the first correction to surface tension for the interface curvature, is calculated in molecular-dynamic experiments performed for Lennard-Jones fluid within the temperature range from the critical to the triple point (and slightly below). It is shown that parameter delta(T) is positive and slightly depends on temperature; its absolute magnitude is no larger than 0.1-0.2 molecular diameters and does not coincide with the distance between the equimolecular dividing surface and the surface of tension in a flat interfacial layer, as calculated through the first moment of the pressure tensor. The results of the moleculardynamic experiments are compared with the delta(T) values calculated in terms of the extended version of the van der Waals theory of capillarity. It is established that taking into account terms of higher orders than the squared density gradient in the expansion of the free energy of an inhomogeneous system does not reverse the negative sign at delta(T) and slightly affects its value
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6.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Gorbatovskaya G. G.
Заглавие : First correction to surface tension for the curvature of an interface
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2009. - Vol.71, №4. - С. 437-445
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): liquid-vapor interface--molecular dynamics--pressure tensor
Аннотация: Tolman parameter delta(T), which determines the first correction to surface tension for the interface curvature, is calculated in molecular-dynamic experiments performed for Lennard-Jones fluid within the temperature range from the critical to the triple point (and slightly below). It is shown that parameter delta(T) is positive and slightly depends on temperature; its absolute magnitude is no larger than 0.1-0.2 molecular diameters and does not coincide with the distance between the equimolecular dividing surface and the surface of tension in a flat interfacial layer, as calculated through the first moment of the pressure tensor. The results of the moleculardynamic experiments are compared with the delta(T) values calculated in terms of the extended version of the van der Waals theory of capillarity. It is established that taking into account terms of higher orders than the squared density gradient in the expansion of the free energy of an inhomogeneous system does not reverse the negative sign at delta(T) and slightly affects its value
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7.

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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8.

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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9.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Tipeev O. A.
Заглавие : Metastable extension of the melting line and the critical endpoint
Место публикации : Journal of Non-Crystalline Solids : 9th International Symposium on Crystallization in Glasses and Liquids Location, Foz do Iguacu, BRAZIL, 10-13 sep. , 2009 . - 2009. - Vol.356, №52-54. - С. 2923-2927
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular-dynamics simulation--lennard-jones system--negative pressures
Аннотация: Molecular-dynamics methods have been employed to calculate the (p, rho, T)-properties and the internal energy of the Lennard-Jones crystal and liquid phases in both stable and metastable states to the boundaries of limiting supersaturations. Thermal and caloric equations of state have been formulated for determining the parameters of phase equilibrium and approximating the boundaries of essential instability (the spinodal curves). The results of calculations of phase equilibrium parameters from the condition of chemical potentials equality show that the melting line in the region of its metastable extension approaches the spinodal of a stretched liquid. The point of contact (the critical endpoint) is characterized by the following parameter values: T*(m)= 0.5286, p*(m) = -1.7128, rho*(m,l) = 0.7374, rho*(m,c) = 0.9423. The melting line and its metastable extension were also calculated by simulations of two-phase liquid-crystal systems. A comparison of these two approaches has been performed. (C) 2010 Elsevier B.V. All rights reserved
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10.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Tipeev O. A.
Заглавие : Metastable extension of the melting line and the critical endpoint
Место публикации : Journal of Non-Crystalline Solids : 9th International Symposium on Crystallization in Glasses and Liquids Location, Foz do Iguacu, BRAZIL, 10-13 sep. , 2009 . - 2009. - Vol.356, №52-54. - С. 2923-2927
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular-dynamics simulation--lennard-jones system--negative pressures
Аннотация: Molecular-dynamics methods have been employed to calculate the (p, rho, T)-properties and the internal energy of the Lennard-Jones crystal and liquid phases in both stable and metastable states to the boundaries of limiting supersaturations. Thermal and caloric equations of state have been formulated for determining the parameters of phase equilibrium and approximating the boundaries of essential instability (the spinodal curves). The results of calculations of phase equilibrium parameters from the condition of chemical potentials equality show that the melting line in the region of its metastable extension approaches the spinodal of a stretched liquid. The point of contact (the critical endpoint) is characterized by the following parameter values: T*(m)= 0.5286, p*(m) = -1.7128, rho*(m,l) = 0.7374, rho*(m,c) = 0.9423. The melting line and its metastable extension were also calculated by simulations of two-phase liquid-crystal systems. A comparison of these two approaches has been performed. (C) 2010 Elsevier B.V. All rights reserved
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