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1.

Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Kuvyrkin G. N.
Заглавие : An alternative method for the numerical solution of the integrodifferential heat-conduction equation
Место публикации : USSR Computational Mathematics and Mathematical Physics. - 1990. - Vol.30, №1. - С. 118-122
Примечания : Bibliogr. : p.
ББК : 53
Аннотация: An algorithm is developed using the finite-element method for calculating the temperature field in a bounded domain allowing for the finite rate of propagation of heat during pulsed surface heating. An accumulating finite element mesh is used in order to remove the oscillations in the solution behind the temperature wave front. An investigation of the error in the calculations enables a rational approach to be taken to the choice of parameters in the integration scheme. Calculations of the propagation and reflection of the temperature waves due to pulsed surface charging are presented
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2.

Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Kuvyrkin G. N.
Заглавие : An alternative method for the numerical solution of the integrodifferential heat-conduction equation
Место публикации : USSR Computational Mathematics and Mathematical Physics. - 1990. - Vol.30, №1. - С. 118-122
Примечания : Bibliogr. : p.
ББК : 53
Аннотация: An algorithm is developed using the finite-element method for calculating the temperature field in a bounded domain allowing for the finite rate of propagation of heat during pulsed surface heating. An accumulating finite element mesh is used in order to remove the oscillations in the solution behind the temperature wave front. An investigation of the error in the calculations enables a rational approach to be taken to the choice of parameters in the integration scheme. Calculations of the propagation and reflection of the temperature waves due to pulsed surface charging are presented
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3.

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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4.

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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5.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Tipeev A. O.
Заглавие : Metastable extension of the melting line and the critical endpoint
Место публикации : Journal of Non-Crystalline Solids. - 2010. - Vol.356, №52-54. - С. 2923-2927
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular-dynamics simulation--lennard-jones system--negative
Аннотация: Molecular-dynamics methods have been employed to calculate the (p, ρ, 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: Tm⁎ = 0.5286, pm⁎ = − 1.7128, ρm,l⁎ = 0.7374, ρm,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.
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6.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Tipeev A. O.
Заглавие : Metastable extension of the melting line and the critical endpoint
Место публикации : Journal of Non-Crystalline Solids. - 2010. - Vol.356, №52-54. - С. 2923-2927
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular-dynamics simulation--lennard-jones system--negative
Аннотация: Molecular-dynamics methods have been employed to calculate the (p, ρ, 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: Tm⁎ = 0.5286, pm⁎ = − 1.7128, ρm,l⁎ = 0.7374, ρm,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.
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7.

Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P.
Заглавие : Molecular-Dynamics Investigation of Phase Equilibrium and Surface Tension in Argon−Neon System
Место публикации : Journal of Physical Chemistry C. - 2008. - Vol.112, №44. - С. 17231-17234
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular dynamics method--argon-neon--lennard-jones
Аннотация: The molecular-dynamics method has been used for calculating the density profiles of the mixture argon−neon, surface tension, and adsorption in systems of 4096−8957 Lennard−Jones particles at a reduced temperature T* = kBT/εα0.7 ± 0.01 and a pressure up to p* = pσα3/εα = 0.6, where σα and εα are parameters of the argon potential. The results of calculating phase-equilibrium parameters are compared with data for a single-fluid model of a solution. The paper discusses the applicability of an extended version of the van der Waals capillarity theory to the description of the surface tension of a gas-saturated liquid
\\\\Expert2\\nbo\\Journal of Physical Chemistry C\\2008, v. 112, p.17231.pdf
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8.

Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P.
Заглавие : Molecular-Dynamics Investigation of Phase Equilibrium and Surface Tension in Argon−Neon System
Место публикации : Journal of Physical Chemistry C. - 2008. - Vol.112, №44. - С. 17231-17234
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular dynamics method--argon-neon--lennard-jones
Аннотация: The molecular-dynamics method has been used for calculating the density profiles of the mixture argon−neon, surface tension, and adsorption in systems of 4096−8957 Lennard−Jones particles at a reduced temperature T* = kBT/εα0.7 ± 0.01 and a pressure up to p* = pσα3/εα = 0.6, where σα and εα are parameters of the argon potential. The results of calculating phase-equilibrium parameters are compared with data for a single-fluid model of a solution. The paper discusses the applicability of an extended version of the van der Waals capillarity theory to the description of the surface tension of a gas-saturated liquid
\\\\Expert2\\nbo\\Journal of Physical Chemistry C\\2008, v. 112, p.17231.pdf
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9.

Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G.
Заглавие : Surface tension of cavitation pockets according to data of computer simulation of nucleation in a stretched fluid [Электронный ресурс]
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2015. - Vol. 77, № 2. - С. 119-124
Систем. требования: http://link.springer.com/article/10.1134/S1061933X15020027
Примечания : Bibliogr. : p. 124 (40 ref.). - 18.11.15
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): critical cavitation pockets-- lennard-jones fluid
Аннотация: Surface tension γ and effective radius R of critical cavitation pockets in a stretched Lennard-Jones fluid have been determined from the data on pocket formation work W *. The W * value has been calculated in terms of the stationary homogeneous nucleation theory from the results of molecular dynamics simulation of the parameters of cavitation process in a range of reduced temperatures T* = k B T/ɛ = 0.35–0.8. The calculated data have been approximated by the extended Tolman equation, which, in addition to linear correction (∼δ∞/R), takes into account the quadratic correction (∼l 2/R 2) for curvature to the surface tension of a critical pocket. It has been shown that parameter δ∞ is negative and amounts to a few tenths of an atom diameter, with the value of l being substantially dependent on temperature and reaching the diameter of a Lennard-Jones atom at the upper boundary of the considered temperature range.
\\\\expert2\\nbo\\Colloid Journal\\2015, V.77, N2,119.pdf
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10.

Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G.
Заглавие : Surface tension of cavitation pockets according to data of computer simulation of nucleation in a stretched fluid [Электронный ресурс]
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2015. - Vol. 77, № 2. - С. 119-124
Систем. требования: http://link.springer.com/article/10.1134/S1061933X15020027
Примечания : Bibliogr. : p. 124 (40 ref.). - 18.11.15
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): critical cavitation pockets-- lennard-jones fluid
Аннотация: Surface tension γ and effective radius R of critical cavitation pockets in a stretched Lennard-Jones fluid have been determined from the data on pocket formation work W *. The W * value has been calculated in terms of the stationary homogeneous nucleation theory from the results of molecular dynamics simulation of the parameters of cavitation process in a range of reduced temperatures T* = k B T/ɛ = 0.35–0.8. The calculated data have been approximated by the extended Tolman equation, which, in addition to linear correction (∼δ∞/R), takes into account the quadratic correction (∼l 2/R 2) for curvature to the surface tension of a critical pocket. It has been shown that parameter δ∞ is negative and amounts to a few tenths of an atom diameter, with the value of l being substantially dependent on temperature and reaching the diameter of a Lennard-Jones atom at the upper boundary of the considered temperature range.
\\\\expert2\\nbo\\Colloid Journal\\2015, V.77, N2,119.pdf
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