Центральная Научная Библиотека УрО РАН

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G.
Заглавие : Experimental investigations of superheated and supercooled water (review of papers of the school of the academician V. P. Skripov)
Место публикации : NATO Science for Peace and Security Series A: Chemistry and Biology. - 2010. - С. 253-270
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): sound velocity--heavy water--superheating
Аннотация: The review presents the results of experimental investigations of nucleation in superheated light and heavy water in the range of nucleation rates from 104 to 1029 s−1m−3. A study is performed of the kinetics of crystallization of droplets of superheated water and amorphous water layers. Measurements have been made of the density, sound velocity, dielectric constant of light and heavy water in the vicinity of the phase equilibrium line with deep entry into the region of metastable (superheated) states. The local and integral characteristics of streams of boiling-up water flowing out into the atmosphere through a short channel have been investigated. One can see the determining role of a vapor phase in such a process at a temperature above 0.9T c , where T c is the temper-temperature at the critical point
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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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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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Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P.
Заглавие : Metastable Lennard-Jones fluids. II. Thermal conductivity [Электронный ресурс]
Место публикации : Journal of Chemical Physics. - 2014. - Vol.140, №21. - С. 214506
Систем. требования: http://scitation.aip.org/content/aip/journal/jcp/140/21/10.1063/1.4880958
Примечания : Bibliogr. : p. 214506 (44 ref.). - 25.08.2015
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular dynamics--lennard-jones liquid
Аннотация: The method of equilibrium molecular dynamics with the use of the Green-Kubo formalism has been used to calculate the thermal conductivity λ in stable and metastable regions of a Lennard-Jones fluid. Calculations have been made in the range of reduced temperatures 0.4 ≤ T* = k BT/ε ≤ 2.0 and densities 0.01 ≤ ρ* = ρσ3 ≤ 1.2 on 15 isotherms for 234 states, 130 of which refer to metastable regions: superheated and supercooled liquids, supersaturated vapor. Equations have been built up which describe the dependence of the regular part of the thermal conductivity on temperature and density, and also on temperature and pressure. It has been found that in (p, T) variables in the region of a liquid-gas phase transition a family of lines of constant value of excess thermal conductivity Δλ = λ - λ0, where λ0 is the thermal conductivity of a dilute gas, has an envelope which coincides with the spinodal. Thus, at the approach to the spinodal of a superheated liquid and supersaturated vapor (∂Δλ /∂p)T → ∞, (∂Δλ/∂T) p → ∞.
\\\\expert2\\nbo\\Journal of Chemical Physics\\2014, v.140, p.214506.pdf
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Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P.
Заглавие : Metastable Lennard-Jones fluids. III. Bulk viscosity [Электронный ресурс]
Место публикации : Journal of Chemical Physics. - 2014. - Vol. 141, № 11. - С. 114503
Систем. требования: http://scitation.aip.org/content/aip/journal/jcp/141/11/10.1063/1.4895624
Примечания : Библиогр.: с. 114503 (35 ref.). - 25.08.2015
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): liquids--thermal conductivity of gases--molecular dynamics
Аннотация: The method of equilibrium molecular-dynamics simulation in combination with the Green-Kubo formula has been used to calculate the bulk viscosity of a Lennard-Jones fluid. Calculations have been made at temperatures 0.4 ≤ kBT/ε ≤ 2.0 and densities 0.0075 ≤ ρσ3≤ 1.2 at 116 stable and 106 metastable states of liquid and gas. The depth of penetration into the region of metastable states was limited by spontaneous nucleation. In the region of stable states the data obtained are compared with the results of previous investigations. It has been established that the system transition across the lines of liquid-gas and liquid-crystal phase equilibrium and penetration into the metastable regions of liquid and gas are connected with increasing bulk viscosity. The behavior of bulk viscosity close to the spinodal of a superheated liquid and supersaturated vapor is discussed
\\\\expert2\\nbo\\Journal of Chemical Physics\\2014, v.140, p.114503.pdf
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Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G.
Заглавие : On the mechanism of formation of incipient-phase nuclei in the strong-metastability region
Место публикации : Doklady Physics. - 2004. - Vol.49, №1. - С. 15-18
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): nucleation--incipient-phase--szilard scheme
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Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Kozlova Z. R.
Заглавие : Shear and bulk viscosity in stable and metastable states of a Lennard-Jones liquid
Место публикации : Chemical Physics Letters. - 2011. - Vol.135, №4-6. - С. 166-170
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular-dynamics simulation--lennard-jones liquid--liquid–crystal
Аннотация: Molecular-dynamics simulations have been employed to calculate the coefficients of shear and bulk viscosity of a Lennard-Jones liquid in the temperature range T∗ = 0.4–2.0 in stable and metastable states. Penetration into the region of superheated states, as distinct from supercooled ones, does not lead to any essential changes in the shear viscosity. The bulk viscosity increases at the approach to the lines of liquid–crystal and liquid–gas equilibrium and in the metastable states. The evolution of autocorrelation functions of the components of the pressure tensor and the characteristic times of the viscoelastic relaxation of both a superheated and supercooled liquids has been investigated
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Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Tipeev A. O.
Заглавие : Surface free energy of the crystal-liquid interface on the metastable extension of the melting curve [Электронный ресурс]
Место публикации : Journal of Experimental and Theoretical Physics Letters. - 2014. - Vol.98, №12. - С. 801-804
Систем. требования: http://www.scopus.com.
Примечания : Bibliogr. : p. 804 (14 ref.). - 26.08.2014
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): surface energy e--lennard-jones system--dynamics simulation
Аннотация: The surface free energy γ, excess surface energy e, and excess surface stress τ at the crystal-liquid interface of a Lennard-Jones system have been determined by molecular dynamics simulation. The calculations have been performed for temperatures both above and below the triple-point temperature for the region where each of the coexisting phases is metastable and is at a negative pressure. The asymptotic behavior of γ, e, and τ has been analyzed near the endpoint of the melting curve, which is a point of the contact of the metastable extension of the melting curve and the spinodal of the stretched liquid [V.G. Baidakov and S.P. Protsenko, Phys. Rev. Lett. 95, 015701 (2005)]. It has been found that γ, e, and τ at this point are finite and the excess surface entropy is zero
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Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Tipeev A. O.
Заглавие : Temperature dependence of the crystal-liquid interfacial free energy and the endpoint of the melting line [Электронный ресурс]
Место публикации : Journal of Chemical Physics. - 2013. - Vol.139, №22. - С. Article number 224703
Систем. требования: http://scitation.aip.org/content/aip/journal/jcp/139/22/10.1063/1.4837695
Примечания : Bibliogr. : 47 ref. . - 25.08.2015
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): coexistence curve --interfacial stress--iynterfacial free energ
Аннотация: The crystal-liquid interfacial free energy γ has been calculated as a function of the crystal orientation in a molecular dynamics experiment in a system of Lennard-Jones (LJ) particles with a cutoff radius of the potential rc *=rc/σ=6.78 at a triple-point temperature Tt *=kBTt/ε=0. 692 and temperatures above (in the region of the stable coexistence of liquid and solid phases) and below (metastable continuation of the coexistence curve of liquid and solid phases) the temperature Tt *. At T*=Tt *, for determining γ use was made of the method of cleaving potential. The temperature dependence of γ on the crystal-liquid coexistence curve has been determined by the Gibbs-Cahn thermodynamic integration method. In the region of stable phase coexistence (Tt * T*Tt *) good agreement with the data of Davidchack and Laird [J. Chem. Phys. 118, 7651 (2003)] has been obtained with respect to the character of the temperature dependence of γ and the orientation anisotropy. In the region of metastable phase coexistence (![CDATA[T* T *Tt *) at the approach to the endpoint of the melting line (TK *
\\\\expert2\\nbo\\Journal of Chemical Physics\\2013, v.139, p.224703.pdf
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Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Kozlova Z. R.
Заглавие : The isochoric heat capacity of a metastable Lennard-Jones fluid
Место публикации : Chemical Physics Letters. - 2007. - Vol. 447, № 4-6. - С. 236-240
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): lennard-jones fluid
Аннотация: The article presents the results of molecular-dynamics calculations of the isochoric heat capacity, cv, and the (p, ?, T) – properties of the Lennard-Jones fluid in the region of liquid–gas phase transition in stable and metastable states. The system under investigation contains 2048 particles, the cut-off radius of the potential is chosen equal to 6.78?. The results of computations of the (p, ?, T) – properties have been used to approximate the location of the spinodal. Values of cv have been determined along the gas and the liquid branches of the spinodal. A thermodynamic relation that determines the value of cv on the spinodal in terms of derivatives with respect to temperature of the entropy, pressure and specific volume along the spinodal has been obtained. It is shown that molecular-dynamics data are in agreement with the results of the thermodynamic analysis.????
\\\\Expert2\\NBO\\Chemical Physics Letters\\2007, v. 447, p.236.pdf
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