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 Найдено в других БД:Каталог книг и продолжающихся изданий (2)Нанотехнологии (1)Труды Института высокотемпературной электрохимии УрО РАН (2)Труды сотрудников Института органического синтеза УрО РАН (3)Труды сотрудников Института химии твердого тела УрО РАН (7)Расплавы (5)Публикации Чарушина В.Н. (2)
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1.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Cavitation and crystallization in a metastable Lennard-Jones liquid at negative pressures and low temperatures [Electronic resource] / V. G. Baidakov, K. S. Bobrov, A. S. Teterin // Journal of Chemical Physics. - 2011. - Vol.135, №5. - P054512
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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   B 16


    Baidakov, V. G.
    Cavitation and crystallization in a metastable Lennard-Jones liquid at negative pressures and low temperatures [Electronic resource] / V. G. Baidakov, K. S. Bobrov, A. S. Teterin // Journal of Chemical Physics. - 2011. - Vol.135, №5. - P054512
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Experimental investigations of superheated and supercooled water (review of papers of the school of the academician V. P. Skripov) / V. G. Baidakov // NATO Science for Peace and Security Series A: Chemistry and Biology. - 2010. - С. 253-270
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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4.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Experimental investigations of superheated and supercooled water (review of papers of the school of the academician V. P. Skripov) / V. G. Baidakov // NATO Science for Peace and Security Series A: Chemistry and Biology. - 2010. - С. 253-270
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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5.
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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6.
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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7.
Инвентарный номер: нет.
   
   C 91


   
    Crystal nucleation rate isotherms in lennard-jones liquids [Electronic resource] / V. G. Baidakov, A. O. Tipeev, K. S. Bobrov, G. V. Ionov // Journal of Chemical Physics. - 2010. - Vol.132, №23. - P234505
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR-DYNAMICS SIMULATION -- LENNARD-JONES FLUID -- NUCLEUS-LIQUID INTERFACE
Аннотация: We present the results of molecular dynamics simulations of the crystal nucleation rate in a supercooled Lennard-Jones liquid. The nucleation rate as a function of the pressure has been calculated by the method of determining the expectation time for liquid crystallization at temperatures higher than that of the triple point (T∗ = 0.865), close to the temperature of the terminal critical point of the metastable extension of the melting curve (T∗ = 0.55) and below this temperature (T∗ = 0.4). In computer experiments the nucleation rate varied from 1032 to 1035 s−1 m−3. The dimensions of critical nuclei and the pressure inside them, the surface free energy at a critical crystal nucleus-liquid interface, the height of the nucleation barrier, and the Zeldovich factor have been determined from the results of molecular dynamics simulations and their comparison with classical homogeneous nucleation theory. It is shown that the surface free energy at a curved crystal-liquid interface, as distinct from a flat interface, has also been determined at temperatures lower than the temperature of the terminal critical point of the melting curve and is a monotonically increasing function of the temperature

\\\\Expert2\\nbo\\Journal of Chemical Physics\\2010, v.132, p. 234505.pdf
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8.
Инвентарный номер: нет.
   
   C 91


   
    Crystal nucleation rate isotherms in lennard-jones liquids [Electronic resource] / V. G. Baidakov, A. O. Tipeev, K. S. Bobrov, G. V. Ionov // Journal of Chemical Physics. - 2010. - Vol.132, №23. - P234505
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR-DYNAMICS SIMULATION -- LENNARD-JONES FLUID -- NUCLEUS-LIQUID INTERFACE
Аннотация: We present the results of molecular dynamics simulations of the crystal nucleation rate in a supercooled Lennard-Jones liquid. The nucleation rate as a function of the pressure has been calculated by the method of determining the expectation time for liquid crystallization at temperatures higher than that of the triple point (T∗ = 0.865), close to the temperature of the terminal critical point of the metastable extension of the melting curve (T∗ = 0.55) and below this temperature (T∗ = 0.4). In computer experiments the nucleation rate varied from 1032 to 1035 s−1 m−3. The dimensions of critical nuclei and the pressure inside them, the surface free energy at a critical crystal nucleus-liquid interface, the height of the nucleation barrier, and the Zeldovich factor have been determined from the results of molecular dynamics simulations and their comparison with classical homogeneous nucleation theory. It is shown that the surface free energy at a curved crystal-liquid interface, as distinct from a flat interface, has also been determined at temperatures lower than the temperature of the terminal critical point of the melting curve and is a monotonically increasing function of the temperature

\\\\Expert2\\nbo\\Journal of Chemical Physics\\2010, v.132, p. 234505.pdf
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9.
Инвентарный номер: нет.
   
   C 91


   
    Crystallization and Melting of Island Films of the PB-BI Alloy [] / V. N. Skokov, A. A. Dik, V. P. Koverda, V. P. Skripov // Kristallografiya. - 1988. - V.33, Is.5. - С. 1202-1206
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ISLAND FILMS

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10.
Инвентарный номер: нет.
   
   C 91


   
    Crystallization and Melting of Island Films of the PB-BI Alloy [] / V. N. Skokov, A. A. Dik, V. P. Koverda, V. P. Skripov // Kristallografiya. - 1988. - V.33, Is.5. - С. 1202-1206
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ISLAND FILMS

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11.
Инвентарный номер: нет.
   
   C 91


   
    Crystallization in Supercooled Insular Binary-Alloy Films in the PB-BI(SN) and SN-BI Systems [] / V. N. Skokov, A. A. Dik, V. P. Koverda, V. P. Skripov // Inorganic Materials. - 1987. - V.23, Is.9. - С. 1308-1311
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRYSTALLIZATION

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12.
Инвентарный номер: нет.
   
   C 91


   
    Crystallization in Supercooled Insular Binary-Alloy Films in the PB-BI(SN) and SN-BI Systems [] / V. N. Skokov, A. A. Dik, V. P. Koverda, V. P. Skripov // Inorganic Materials. - 1987. - V.23, Is.9. - С. 1308-1311
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRYSTALLIZATION

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13.
Инвентарный номер: нет.
   
   C 91


   
    Crystallization of thin films and ultradisperse powder of amorphous germanium-iron alloys [Text] / V. N. Skokov, N. M. Bogdanov, L. Yu. Irkhin, V. P. Koverda // Melts. - 1990. - V. 4, N 4. - P286-290
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
КРИСТАЛЛИЗАЦИЯ -- ПЛЕНКИ ТОНКИЕ -- ТОНКИЕ ПЛЕНКИ -- ПОРОШКИ УЛЬТРАДИСПЕРСНЫЕ -- УЛЬТРАДИСПЕРСНЫЕ ПОРОШКИ -- СПЛАВ ГЕРМАНИЙ-ЖЕЛЕЗО АМОРФНЫЙ -- МИКРОСКОПИЯ СКАНИРОВАННО-ЭЛЕКТРОННАЯ -- ГЕРМАНИЙ -- Ge -- ЖЕЛЕЗО -- Fe
Аннотация: Scanning electron microscopy was used to investigate the crystallization of thin films and ultradisperse powder of amorphous iron-germanium alloys

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14.
Инвентарный номер: нет.
   
   C 91


   
    Crystallization of thin films and ultradisperse powder of amorphous germanium-iron alloys [Text] / V. N. Skokov, N. M. Bogdanov, L. Yu. Irkhin, V. P. Koverda // Melts. - 1990. - V. 4, N 4. - P286-290
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
КРИСТАЛЛИЗАЦИЯ -- ПЛЕНКИ ТОНКИЕ -- ТОНКИЕ ПЛЕНКИ -- ПОРОШКИ УЛЬТРАДИСПЕРСНЫЕ -- УЛЬТРАДИСПЕРСНЫЕ ПОРОШКИ -- СПЛАВ ГЕРМАНИЙ-ЖЕЛЕЗО АМОРФНЫЙ -- МИКРОСКОПИЯ СКАНИРОВАННО-ЭЛЕКТРОННАЯ -- ГЕРМАНИЙ -- Ge -- ЖЕЛЕЗО -- Fe
Аннотация: Scanning electron microscopy was used to investigate the crystallization of thin films and ultradisperse powder of amorphous iron-germanium alloys

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15.
Инвентарный номер: нет.
   
   E 93


   
    Evaluation of metastable region boundaries for liquid and solid states in MD simulations [Electronic resource] / G. V. Ionov, V. V. Dremov, A. V. Karavaev, S. P. Protsenko, V. G. Baidakov, A. O. Tipeev // Journal of Physics : Condensed Matter. - 2014. - Vol.500, №17. - Article number 172004. - Bibliogr. : (6 ref)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
DIFFUSION -- DYNAMIC LOADS -- LIQUIDS
Аннотация: An automatic method based on MD simulations was developed for detecting and tracing the boundaries of metastable states of superheated crystal and supercooled liquid. The main criterion of the detection of early nucleation of new phase is the self-diffusion coefficient temperature dependence. The scanning for nucleation events is performed at continuous temperature change. The set of independent nucleation events at a given pressure allows evaluation of temperature dependence of specific nucleation frequency. The collection of a large number of these calculations allows accurate approximation of pressure and temperature dependence of the specific nucleation frequency in both directions between phases. This dependence allows estimating the behavior of the free energy in the region between superheating and supercooling curves. In addition, dependence of nucleation frequency on pressure and temperature provides an opportunity to integrate the probability of nucleation under dynamic loading and subsequent release and thus to determine the likelihood of the crystallization and melting. The technique was applied to tin. MD simulation was carried out with the help of the EAM interatomic potential, well reproducing the properties of BCC phase.

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16.
Инвентарный номер: нет.
   
   E 93


   
    Evaluation of metastable region boundaries for liquid and solid states in MD simulations [Electronic resource] / G. V. Ionov, V. V. Dremov, A. V. Karavaev, S. P. Protsenko, V. G. Baidakov, A. O. Tipeev // Journal of Physics : Condensed Matter. - 2014. - Vol.500, №17. - Article number 172004. - Bibliogr. : (6 ref)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
DIFFUSION -- DYNAMIC LOADS -- LIQUIDS
Аннотация: An automatic method based on MD simulations was developed for detecting and tracing the boundaries of metastable states of superheated crystal and supercooled liquid. The main criterion of the detection of early nucleation of new phase is the self-diffusion coefficient temperature dependence. The scanning for nucleation events is performed at continuous temperature change. The set of independent nucleation events at a given pressure allows evaluation of temperature dependence of specific nucleation frequency. The collection of a large number of these calculations allows accurate approximation of pressure and temperature dependence of the specific nucleation frequency in both directions between phases. This dependence allows estimating the behavior of the free energy in the region between superheating and supercooling curves. In addition, dependence of nucleation frequency on pressure and temperature provides an opportunity to integrate the probability of nucleation under dynamic loading and subsequent release and thus to determine the likelihood of the crystallization and melting. The technique was applied to tin. MD simulation was carried out with the help of the EAM interatomic potential, well reproducing the properties of BCC phase.

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17.
Инвентарный номер: нет.
   
   F 17


    Faizullin, M. Z.
    Formation of clathrate hydrates under crystallization of gas-saturated amorphous ice [Electronic resource] / M. Z. Faizullin, A. V. Vinogradov, V. P. Koverda // International Journal of Heat and Mass Transfer. - 2013. - Vol.65. - С. 649-654. - Bibliogr. : p. 654 (42 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CLATHRATE HYDRATE -- KINETICS -- METHANE
Аннотация: Layers of methane-saturated amorphous ice were obtained by deposition of molecular beams of water and gas on a substrate cooled with liquid nitrogen. Their heating is accompanied by glass transition (softening) and subsequent spontaneous crystallization. The avalanche-type initiation of crystallization centers captures the gas molecules and does not lead to their displacement by the motion of the crystallization front. Under crystallization of amorphous water-gas condensates in conditions of deep metastability the formation of gas hydrates takes place. Glass-transition and crystallization temperatures of the condensates were determined by changes in their dielectric properties under heating. The method of differential thermal analysis has been used to investigate the kinetics of crystallization of amorphous water layers. Properties that characterize the water crystallization kinetics have been determined on the basis of the obtained data on the dependence of the crystallization temperature on the heating rate

\\\\expert2\\NBO\\International Journal of Heat and Mass Transfer\\2013, v.65, p.649-654.pdf
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18.
Инвентарный номер: нет.
   
   F 17


    Faizullin, M. Z.
    Formation of clathrate hydrates under crystallization of gas-saturated amorphous ice [Electronic resource] / M. Z. Faizullin, A. V. Vinogradov, V. P. Koverda // International Journal of Heat and Mass Transfer. - 2013. - Vol.65. - С. 649-654. - Bibliogr. : p. 654 (42 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CLATHRATE HYDRATE -- KINETICS -- METHANE
Аннотация: Layers of methane-saturated amorphous ice were obtained by deposition of molecular beams of water and gas on a substrate cooled with liquid nitrogen. Their heating is accompanied by glass transition (softening) and subsequent spontaneous crystallization. The avalanche-type initiation of crystallization centers captures the gas molecules and does not lead to their displacement by the motion of the crystallization front. Under crystallization of amorphous water-gas condensates in conditions of deep metastability the formation of gas hydrates takes place. Glass-transition and crystallization temperatures of the condensates were determined by changes in their dielectric properties under heating. The method of differential thermal analysis has been used to investigate the kinetics of crystallization of amorphous water layers. Properties that characterize the water crystallization kinetics have been determined on the basis of the obtained data on the dependence of the crystallization temperature on the heating rate

\\\\expert2\\NBO\\International Journal of Heat and Mass Transfer\\2013, v.65, p.649-654.pdf
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19.
Инвентарный номер: нет.
   
   F 17


    Faizullin, M. Z.
    Glass transition and crystallization of low-temperature amorphous condensates of the water-propane mixture / M. Z. Faizullin, A. V. Vinogradov, V. P. Koverda // Doklady Physical Chemistry. - 2012. - Vol.442. - С. 16-18
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LOW TEMPERATURES -- GLASS -- WATER-PROPANE

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20.
Инвентарный номер: нет.
   
   F 17


    Faizullin, M. Z.
    Glass transition and crystallization of low-temperature amorphous condensates of the water-propane mixture / M. Z. Faizullin, A. V. Vinogradov, V. P. Koverda // Doklady Physical Chemistry. - 2012. - Vol.442. - С. 16-18
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LOW TEMPERATURES -- GLASS -- WATER-PROPANE

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