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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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Общее количество найденных документов : 54
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 1-20    21-40   41-54 
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.
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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3.
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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4.
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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5.
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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6.
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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7.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Crystallization Due to a Nucleus of a Combined Structure in Supercooled Liquid Sodium [] : computer Experiment / A. E. Galashev // Crystallography Reports. - 1998. - V.43, N5. - С. 943-948
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRYSTALLIZATION -- NUCLEUS -- STRUCTURE COMBINED -- SODIUM SUPERCOOLED -- SODIUM LIQUID -- Na

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8.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Crystallization Due to a Nucleus of a Combined Structure in Supercooled Liquid Sodium [] : computer Experiment / A. E. Galashev // Crystallography Reports. - 1998. - V.43, N5. - С. 943-948
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRYSTALLIZATION -- NUCLEUS -- STRUCTURE COMBINED -- SODIUM SUPERCOOLED -- SODIUM LIQUID -- Na

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9.
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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10.
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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11.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Crystallization of Overcooled Argon in Microheterophase 108-Particle Model-Structure Identification and Heat Fluctuation Resistance of the Systems [] / A. E. Galashev, V. P. Skripov // Kristallografiya. - 1989. - V.34, Is.5. - С. 1254-1258
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ARGON

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12.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Crystallization of Overcooled Argon in Microheterophase 108-Particle Model-Structure Identification and Heat Fluctuation Resistance of the Systems [] / A. E. Galashev, V. P. Skripov // Kristallografiya. - 1989. - V.34, Is.5. - С. 1254-1258
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ARGON

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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.
   
   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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18.
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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19.
Инвентарный номер: нет.
   
   K 79


    Koverda, V. P.
    Explosive crystallization of amorphous solids under instensive nucleation [Text] / V. P. Koverda, N. M. Bogdanov, V. P. Skripov // Journal of Non-Crystalline Solids. - 1985. - V. 74, N 2. - P181-188
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
КРИСТАЛЛИЗАЦИЯ ВЗРЫВНАЯ -- ВЗРЫВНАЯ КРИСТАЛЛИЗАЦИЯ -- ТЕЛА ТВЕРДЫЕ -- ТВЕРДЫЕ ТЕЛА -- ЗАРОДЫШЕОБРАЗОВАНИЕ -- ТЕЛА АМОРФНЫЕ -- АМОРФНЫЕ ТЕЛА -- ТЕПЛОФИЗИКА

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20.
Инвентарный номер: нет.
   
   K 79


    Koverda, V. P.
    Explosive crystallization of amorphous solids under instensive nucleation [Text] / V. P. Koverda, N. M. Bogdanov, V. P. Skripov // Journal of Non-Crystalline Solids. - 1985. - V. 74, N 2. - P181-188
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
КРИСТАЛЛИЗАЦИЯ ВЗРЫВНАЯ -- ВЗРЫВНАЯ КРИСТАЛЛИЗАЦИЯ -- ТЕЛА ТВЕРДЫЕ -- ТВЕРДЫЕ ТЕЛА -- ЗАРОДЫШЕОБРАЗОВАНИЕ -- ТЕЛА АМОРФНЫЕ -- АМОРФНЫЕ ТЕЛА -- ТЕПЛОФИЗИКА

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