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Общее количество найденных документов : 42
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1. 
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Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Bobrov K. S., Teterin A.S.
Заглавие : Cavitation and crystallization in a metastable Lennard-Jones liquid at negative pressures and low temperatures
Место публикации : Journal of Chemical Physics. - 2011. - Vol.135, №5. - С. 054512
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): solid-liquids --liquids--lennard-jones
Аннотация: Molecular dynamics simulations have been used to investigate the kinetics of spontaneous cavitation and crystallization in a Lennard-Jones liquid at negative pressures in the temperature range where these processes compete with each other. The nucleation rate has been calculated in NVE and NpT ensembles by the method of mean lifetime and the transition interface sampling method with parallel path swapping. The data obtained have been used to determine in the framework of classical nucleation theory the value of the ratio of the solid–liquid and the liquid–void interfacial free energy for critical crystals and cavities and the values of their volumes at points where the cavitation rate of the liquid is equal to the rate of its crystallization
\\\\Expert2\\nbo\\Journal of Chemical Physics\\2011, v.135, p.054512.pdf
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2.
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Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Bobrov K. S., Teterin A.S.
Заглавие : Cavitation and crystallization in a metastable Lennard-Jones liquid at negative pressures and low temperatures
Место публикации : Journal of Chemical Physics. - 2011. - Vol.135, №5. - С. 054512
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): solid-liquids --liquids--lennard-jones
Аннотация: Molecular dynamics simulations have been used to investigate the kinetics of spontaneous cavitation and crystallization in a Lennard-Jones liquid at negative pressures in the temperature range where these processes compete with each other. The nucleation rate has been calculated in NVE and NpT ensembles by the method of mean lifetime and the transition interface sampling method with parallel path swapping. The data obtained have been used to determine in the framework of classical nucleation theory the value of the ratio of the solid–liquid and the liquid–void interfacial free energy for critical crystals and cavities and the values of their volumes at points where the cavitation rate of the liquid is equal to the rate of its crystallization
\\\\Expert2\\nbo\\Journal of Chemical Physics\\2011, v.135, p.054512.pdf
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3.
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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 : Metastable Lennard-Jones fluids. I. Shear viscosity
Место публикации : Journal of Chemical Physics. - 2012. - Vol.137, №16. - С. 164507
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): liquids--glass--crystals
Аннотация: Molecular dynamics methods have been employed to calculate the coefficient of shear viscosity ηs* of a Lennard-Jones fluid. Calculations have been performed in the range of reduced temperatures 0.4 ⩽ kBT/ɛ ⩽ 2.0 and densities 0.01 ≤ ρσ3 ≤ 1.2. Values of ηs* have been obtained for 217 states, 99 of which refer to metastable liquid and gas regions. The results of calculating ηs* for thermodynamically stable states are in satisfactory agreement with the data of earlier investigations. An equation has been obtained which describes the temperature and density dependence of the coefficient of shear viscosity in stable and metastable regions of the phase diagram up to the boundaries of spontaneous nucleation. The behavior of the coefficient of shear viscosity close to the spinodal of a superheated liquid and supersaturated vapor is discussed and the applicability of the Stokes-Einstein relation at high supercoolings of the liquid phase is examined.
\\\\Expert2\\nbo\\Journal of Chemical Physics\\2012, V.137, p.164507.pdf
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4.
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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 : Metastable Lennard-Jones fluids. I. Shear viscosity
Место публикации : Journal of Chemical Physics. - 2012. - Vol.137, №16. - С. 164507
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): liquids--glass--crystals
Аннотация: Molecular dynamics methods have been employed to calculate the coefficient of shear viscosity ηs* of a Lennard-Jones fluid. Calculations have been performed in the range of reduced temperatures 0.4 ⩽ kBT/ɛ ⩽ 2.0 and densities 0.01 ≤ ρσ3 ≤ 1.2. Values of ηs* have been obtained for 217 states, 99 of which refer to metastable liquid and gas regions. The results of calculating ηs* for thermodynamically stable states are in satisfactory agreement with the data of earlier investigations. An equation has been obtained which describes the temperature and density dependence of the coefficient of shear viscosity in stable and metastable regions of the phase diagram up to the boundaries of spontaneous nucleation. The behavior of the coefficient of shear viscosity close to the spinodal of a superheated liquid and supersaturated vapor is discussed and the applicability of the Stokes-Einstein relation at high supercoolings of the liquid phase is examined.
\\\\Expert2\\nbo\\Journal of Chemical Physics\\2012, V.137, p.164507.pdf
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5.
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Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P.
Заглавие : Spinodal and the melting curve of a Lennard-Jones crystal at negative pressure
Место публикации : Doklady Physics. - 2005. - Vol.50, №6. - С. 303-307
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): liquids--crystals--lennard-jones
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6.
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Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P.
Заглавие : Spinodal and the melting curve of a Lennard-Jones crystal at negative pressure
Место публикации : Doklady Physics. - 2005. - Vol.50, №6. - С. 303-307
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): liquids--crystals--lennard-jones
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7.
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Вид документа : Статья из журнала
Шифр издания : 53/F 17
Автор(ы) : Faizullin M. Z., Skripov V. P.
Заглавие : Estimation of the stability limit of metallic crystals under conditions of isothermal stretching
Место публикации : High Temperature. - 2007. - Vol. 45, № 6. - С. 803-806
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): metallic crystals
Аннотация: Based on the results of analysis of behavior of the thermodynamic properties of metals, a semiempirical method is suggested for calculating the limit of thermodynamic stability of crystalline state under conditions of isothermal stretching. The pressure and volume on the spinodal at temperatures of 0 and 300 K are estimated for a group of metals, and the stability limit of lead is calculated in the temperature range from 0 K to the melting point. The correlation between limiting pressures on the melting line and on the spinodal of crystal at T 0 is revealed.
\\\\Expert2\\NBO\\High Temperature\\2007, v.45, p.803.pdf
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8.
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Вид документа : Статья из журнала
Шифр издания : 53/F 17
Автор(ы) : Faizullin M. Z., Skripov V. P.
Заглавие : Estimation of the stability limit of metallic crystals under conditions of isothermal stretching
Место публикации : High Temperature. - 2007. - Vol. 45, № 6. - С. 803-806
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): metallic crystals
Аннотация: Based on the results of analysis of behavior of the thermodynamic properties of metals, a semiempirical method is suggested for calculating the limit of thermodynamic stability of crystalline state under conditions of isothermal stretching. The pressure and volume on the spinodal at temperatures of 0 and 300 K are estimated for a group of metals, and the stability limit of lead is calculated in the temperature range from 0 K to the melting point. The correlation between limiting pressures on the melting line and on the spinodal of crystal at T 0 is revealed.
\\\\Expert2\\NBO\\High Temperature\\2007, v.45, p.803.pdf
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9.
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Вид документа :
Шифр издания : 53/F 17
Автор(ы) : Faizullin M. Z.
Заглавие : On the law of corresponding states for thermodynamic properties of a crystal
Место публикации : Journal of Engineering Thermophysics. - 2007. - Vol.16, №3. - С. 139-144
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): thermodynamic similarity --crystalline substances--metastable systems
Аннотация: To study thermodynamic similarity of the properties of crystalline substances, we propose an approach connected with engaging of the metastable state region. Internal pressure and specific volume on the crystal’s stability boundary at T = 0 K are used as characteristic scales of thermodynamic variables. A semiempirical method of calculation of the stability boundary by the thermodynamic data related to the stable states region of a solid body is described. In the cases of argon and natrium, the stability boundary is calculated for a wide range of temperatures and pressures. Analysis of the properties of neon, argon, krypton, and xenon crystals in these variables indicates that the law of corresponding states holds for these substances
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10.
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Вид документа :
Шифр издания : 53/F 17
Автор(ы) : Faizullin M. Z.
Заглавие : On the law of corresponding states for thermodynamic properties of a crystal
Место публикации : Journal of Engineering Thermophysics. - 2007. - Vol.16, №3. - С. 139-144
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): thermodynamic similarity --crystalline substances--metastable systems
Аннотация: To study thermodynamic similarity of the properties of crystalline substances, we propose an approach connected with engaging of the metastable state region. Internal pressure and specific volume on the crystal’s stability boundary at T = 0 K are used as characteristic scales of thermodynamic variables. A semiempirical method of calculation of the stability boundary by the thermodynamic data related to the stable states region of a solid body is described. In the cases of argon and natrium, the stability boundary is calculated for a wide range of temperatures and pressures. Analysis of the properties of neon, argon, krypton, and xenon crystals in these variables indicates that the law of corresponding states holds for these substances
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11.
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Вид документа :
Шифр издания : 53/T 44
Автор(ы) : Faizullin M. Z.
Заглавие : The stability boundary of ionic crystals under isothermal stretching
Место публикации : Russian Journal of Physical Chemistry A. - 2008. - Vol.82, №9. - С. 1512-1515
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): melting curve--pressures--halides
Аннотация: A semiempirical method for calculating the stability boundary under isothermal stretching was suggested for ionic crystals. For alkali metal halides, the pressure and volume at the stability boundary were estimated at 0 and 300 K. For sodium chloride over wide temperature and pressure ranges, the crystalline state spinodal and the temperature dependence of internal pressure along this curve were constructed
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12.
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Вид документа :
Шифр издания : 53/T 44
Автор(ы) : Faizullin M. Z.
Заглавие : The stability boundary of ionic crystals under isothermal stretching
Место публикации : Russian Journal of Physical Chemistry A. - 2008. - Vol.82, №9. - С. 1512-1515
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): melting curve--pressures--halides
Аннотация: A semiempirical method for calculating the stability boundary under isothermal stretching was suggested for ionic crystals. For alkali metal halides, the pressure and volume at the stability boundary were estimated at 0 and 300 K. For sodium chloride over wide temperature and pressure ranges, the crystalline state spinodal and the temperature dependence of internal pressure along this curve were constructed
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13.
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Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Skripov V. P.
Заглавие : Investigation on the disordering of argon hexagonal closed packed (HCP) crystals by the method of statistical geometry
Место публикации : Journal of Structural Chemistry. - 1984. - Vol. 25, № 5. - С. 734-740
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): argon--statistical geometry--hcp
\\\\Expert2\\NBO\\Journal of Structural Chemistry\\1984, V. 25, N 5, p.734.pdf
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14.
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Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Skripov V. P.
Заглавие : Investigation on the disordering of argon hexagonal closed packed (HCP) crystals by the method of statistical geometry
Место публикации : Journal of Structural Chemistry. - 1984. - Vol. 25, № 5. - С. 734-740
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): argon--statistical geometry--hcp
\\\\Expert2\\NBO\\Journal of Structural Chemistry\\1984, V. 25, N 5, p.734.pdf
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15.
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Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E.
Заглавие : Molecular-dynamic calculation of the thermal properties of stable BCC and metastable FCC sodium crystals
Место публикации : Heat Transfer. - 1985. - N 4.
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): расчет молекулярно-динамический--молекулярно-динамические расчеты--свойства термические--термические свойства--bcc растворимый--растворимый bcc--fcc растворимый--растворимый fcc--bcc кристаллический--кристаллический bcc--bcc стабильный--стабильный bcc--fcc кристаллический--кристаллический fcc--fcc метастабильный--метастабильный fcc--теплофизика
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16.
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Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E.
Заглавие : Molecular-dynamic calculation of the thermal properties of stable BCC and metastable FCC sodium crystals
Место публикации : Heat Transfer. - 1985. - N 4.
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): расчет молекулярно-динамический--молекулярно-динамические расчеты--свойства термические--термические свойства--bcc растворимый--растворимый bcc--fcc растворимый--растворимый fcc--bcc кристаллический--кристаллический bcc--bcc стабильный--стабильный bcc--fcc кристаллический--кристаллический fcc--fcc метастабильный--метастабильный fcc--теплофизика
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17.
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Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E.
Заглавие : Molecular-dynamic modeling of ultradisperse water in the earth atmosphere
Место публикации : High Temperature. - 2010. - Vol.48, №4. - С. 518-526
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): atmospheric water--dynamic calculations--dynamic calculations
Аннотация: Molecular-dynamic calculations are used for analyzing the vapor quality of water monomers, clusters, droplets, and crystals in the Earth atmosphere. It is demonstrated that the integral intensity of absorption of infrared radiation for the initial series of water clusters does not increase with their size and stays smaller than the respective characteristic for free water molecule. The anti-greenhouse effect developed by clusters is defined as the difference between the greenhouse effects exhibited by free molecules of water making up the clusters and by the clusters proper. The value of anti-greenhouse effect is 3.6 K, and the greenhouse effect of atmospheric water clusters is estimated at 1.1
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18.
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Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E.
Заглавие : Molecular-dynamic modeling of ultradisperse water in the earth atmosphere
Место публикации : High Temperature. - 2010. - Vol.48, №4. - С. 518-526
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): atmospheric water--dynamic calculations--dynamic calculations
Аннотация: Molecular-dynamic calculations are used for analyzing the vapor quality of water monomers, clusters, droplets, and crystals in the Earth atmosphere. It is demonstrated that the integral intensity of absorption of infrared radiation for the initial series of water clusters does not increase with their size and stays smaller than the respective characteristic for free water molecule. The anti-greenhouse effect developed by clusters is defined as the difference between the greenhouse effects exhibited by free molecules of water making up the clusters and by the clusters proper. The value of anti-greenhouse effect is 3.6 K, and the greenhouse effect of atmospheric water clusters is estimated at 1.1
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19.
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Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E.
Заглавие : Stability and Mechanism of disordering of crystals with Lennard-Jones Interaction of particles
Место публикации : Fluid Mechanics - Soviet Research. - 1991. - V. 20, N 1. - С. 123-130
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): стабильность кристаллов--разупорядочение кристаллов--взаимодействие леннард-джонса--леннард-джонсовские взаимодействия--теплофизика
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20.
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Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E.
Заглавие : Stability and Mechanism of disordering of crystals with Lennard-Jones Interaction of particles
Место публикации : Fluid Mechanics - Soviet Research. - 1991. - V. 20, N 1. - С. 123-130
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): стабильность кристаллов--разупорядочение кристаллов--взаимодействие леннард-джонса--леннард-джонсовские взаимодействия--теплофизика
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