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Общее количество найденных документов : 64
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1.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Computer simulation of nucleation in a liquid under tension / V. G. Baidakov, S. P. Protsenko // Doklady Physics. - 2004. - Vol.49, №2. - С. 69-72
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MONTE CARLO -- MOLECULAR DYNAMIC METHOD -- LIQUIDS

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2.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Computer simulation of nucleation in a liquid under tension / V. G. Baidakov, S. P. Protsenko // Doklady Physics. - 2004. - Vol.49, №2. - С. 69-72
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MONTE CARLO -- MOLECULAR DYNAMIC METHOD -- LIQUIDS

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3.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Effect of the cut-off radius of the intermolecular potential on phase equilibrium and surface tension in Lennard–Jones systems / V. G. Baidakov, G. G. Chernykh, S. P. Protsenko // Chemical Physics Letters. - 2000. - Vol.321, №3-4. - С. 315-320
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Effect of the cut-off radius of the intermolecular potential on phase equilibrium and surface tension in Lennard–Jones systems / V. G. Baidakov, G. G. Chernykh, S. P. Protsenko // Chemical Physics Letters. - 2000. - Vol.321, №3-4. - С. 315-320
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    First correction to surface tension for the curvature of an interface / V. G. Baidakov, S. P. Protsenko, G. G. Gorbatovskaya // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2009. - Vol.71, №4. - С. 437-445
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    First correction to surface tension for the curvature of an interface / V. G. Baidakov, S. P. Protsenko, G. G. Gorbatovskaya // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2009. - Vol.71, №4. - С. 437-445
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Liquid-vapor equilibrium and surface tension in Lennard-Jones systems / V. G. Baidakov, G. G. Chernykh, S. P. Protsenko // Russian Journal of Physical Chemistry A. - 2000. - Vol.74, №8. - С. 1241-1245
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LENNARD-JONES SYSTEM -- THERMODYNAMIC PROPERTIES -- LIQUID-VAPOR

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8.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Liquid-vapor equilibrium and surface tension in Lennard-Jones systems / V. G. Baidakov, G. G. Chernykh, S. P. Protsenko // Russian Journal of Physical Chemistry A. - 2000. - Vol.74, №8. - С. 1241-1245
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LENNARD-JONES SYSTEM -- THERMODYNAMIC PROPERTIES -- LIQUID-VAPOR

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9.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Metastable extension of the melting line and the critical endpoint / V. G. Baidakov, S. P. Protsenko, O. A. Tipeev // 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
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Metastable extension of the melting line and the critical endpoint / V. G. Baidakov, S. P. Protsenko, O. A. Tipeev // 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
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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