Главная Новые поступления Описание Шлюз Z39.50

Базы данных


Труды сотрудников Института теплофизики УрО РАН - результаты поиска

Вид поиска

Область поиска
 Найдено в других БД:Труды Института высокотемпературной электрохимии УрО РАН (2)Труды сотрудников Института органического синтеза УрО РАН (4)Расплавы (1)
Формат представления найденных документов:
полныйинформационныйкраткий
Отсортировать найденные документы по:
авторузаглавиюгоду изданиятипу документа
Поисковый запрос: (<.>K=ISOTHERMS<.>)
Общее количество найденных документов : 10
Показаны документы с 1 по 10
1.
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
Найти похожие

2.
Инвентарный номер: нет.
   
   P 93


    Protsenko, S. P.
    Tensile Strength of two-dimensional Lennard-Jones Crystals. 1. Static Aspect [] : static Aspect / S. P. Protsenko, V. G. Baidakov, A. Y. Komarov // Journal of Structural Chemistry (Russia). - 1995. - V.36, Is.1. - С. 36-42
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRYSTAL LENNARD-JONES -- ASPECT STATIC -- CRYSTAL TWO-DIMENSIONAL -- DEPENDENCE OF TEMPERATURE -- ISOTHERMS
Аннотация: The molecular dynamic method is employed to study the thermodynamic perameters of a two-dimensional Lennard-Jones crysyal at negative pressures. The calculations are performed for five isotherms. The lowest temperature approaches absolute zero, and the highest temperature is 35% lower that than of the triple point. The limits of attainable tension and the thermodynamic stability of the crystal as well as the lifetimes of the ultimately strained states and the relaxation times in a disordering in the crystal are estimated. The thermal characteristics of disordering in the crystalline state are revealed and investigated

\\\\Cserver\\dist\\НБО\\Электронная библиотека_Библиогр1\\Journal of Structural Chemistry\\1995, V. 36, N 1, p.36.pdf
Найти похожие

3.
Инвентарный номер: нет.
   
   E 70


    Ermakov, G. V.
    Description of heterogeneous boiling up of superheated liquid / G. V. Ermakov, A. L Gurashkin // Journal of Engineering Thermophysics. - 2007. - Vol.16, №4. - С. 231-235
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
BOILING -- SUPERHEATED N-HEXANE -- HETEROGENEOUS BOILING
Аннотация: The results of measurements of the average expectation time of boiling up of strongly superheated n-hexane in structures from different finely dispersed powders whose smallest size is about 10 nm by using isotherms and isobars are presented. As was proposed by Academician V.P. Skripov, isotherm sections with the heterogeneous boiling up mechanism were processed with the help of Zhurkov’s formula, which is based on the thermofluctuation hypothesis of solid body strength. Thus, temperature dependences of the characteristic volume, whose excess leads to the system division into macroscopic phases, have been found for the systems studied. An approach dealing with the boiling up of superheated liquid as a fluctuation in a locally isolated microvolume is used to describe the isobars. To calculate the work of formation of the characteristic volume, its values obtained at the processing of isotherms are used. The system of equations for the temperature dependence of the average expectation time of n-hexane boiling up in isobars has three empirical constants. A rather accurate description of isobars is obtained at a proper choice of these constants. The result obtained confirms that the idea of Academician V.P. Skripov is successful

Найти похожие

4.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Metastable Lennard-Jones fluids. II. Thermal conductivity / V. G. Baidakov, S. P. Protsenko // Journal of Chemical Physics. - 2014. - Vol.140, №21. - С. 214506. - Bibliogr. : p. 214506 (44 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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
Найти похожие

5.
Инвентарный номер: нет.
   
   P 93


    Protsenko, S. P.
    Melting line, spinodal and the endpoint of the melting line in the system with a modified Lennard-Jones potential [Electronic resource] / S. P. Protsenko, V. G. Baidakov, A. O. Tipeev // Thermophysics and Aeromtchanics. - 2013. - Vol.20, №1. - P93-104. - Bibliogr. : p. 104 (21 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LENNARD-JONES FLUID -- MELTING LINE -- METASTABLE STATE
Аннотация: A molecular dynamics method was used to calculate the pressure p* and the internal energy e* of a liquid and a crystal in stable and metastable states in a system of 2048 particles, which interaction is described by a modified Lennard-Jones potential. For the liquid phase, calculations were performed along 13 isotherms from the range of reduced temperature T* = 0.35-3.0, and for the crystal phase, along 16 isotherms from the range T* =0.1-3.0. The thermal p* = p*(ρ*,T*) and caloric e* = e*(ρ*,T*) equations of state for liquids and crystals have been constructed. The parameters of crystal-liquid phase equilibrium have been determined from the conditions of phases coexistence at positive pressures and in the region of negative pressures, where the coexistent phases are metastable. The spinodal of a stretched liquid has been approximated. It has been found that with a temperature decrease the metastable extension of the melting line meets the spinodal of the liquid phase. The point of their meeting, the endpoint of the melting curve, is the point of termination of crystal-liquid phase equilibrium without the onset of identity of the phases

Найти похожие

6.
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
Найти похожие

7.
Инвентарный номер: нет.
   
   P 93


    Protsenko, S. P.
    Tensile Strength of two-dimensional Lennard-Jones Crystals. 1. Static Aspect [] : static Aspect / S. P. Protsenko, V. G. Baidakov, A. Y. Komarov // Journal of Structural Chemistry (Russia). - 1995. - V.36, Is.1. - С. 36-42
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRYSTAL LENNARD-JONES -- ASPECT STATIC -- CRYSTAL TWO-DIMENSIONAL -- DEPENDENCE OF TEMPERATURE -- ISOTHERMS
Аннотация: The molecular dynamic method is employed to study the thermodynamic perameters of a two-dimensional Lennard-Jones crysyal at negative pressures. The calculations are performed for five isotherms. The lowest temperature approaches absolute zero, and the highest temperature is 35% lower that than of the triple point. The limits of attainable tension and the thermodynamic stability of the crystal as well as the lifetimes of the ultimately strained states and the relaxation times in a disordering in the crystal are estimated. The thermal characteristics of disordering in the crystalline state are revealed and investigated

\\\\Cserver\\dist\\НБО\\Электронная библиотека_Библиогр1\\Journal of Structural Chemistry\\1995, V. 36, N 1, p.36.pdf
Найти похожие

8.
Инвентарный номер: нет.
   
   E 70


    Ermakov, G. V.
    Description of heterogeneous boiling up of superheated liquid / G. V. Ermakov, A. L Gurashkin // Journal of Engineering Thermophysics. - 2007. - Vol.16, №4. - С. 231-235
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
BOILING -- SUPERHEATED N-HEXANE -- HETEROGENEOUS BOILING
Аннотация: The results of measurements of the average expectation time of boiling up of strongly superheated n-hexane in structures from different finely dispersed powders whose smallest size is about 10 nm by using isotherms and isobars are presented. As was proposed by Academician V.P. Skripov, isotherm sections with the heterogeneous boiling up mechanism were processed with the help of Zhurkov’s formula, which is based on the thermofluctuation hypothesis of solid body strength. Thus, temperature dependences of the characteristic volume, whose excess leads to the system division into macroscopic phases, have been found for the systems studied. An approach dealing with the boiling up of superheated liquid as a fluctuation in a locally isolated microvolume is used to describe the isobars. To calculate the work of formation of the characteristic volume, its values obtained at the processing of isotherms are used. The system of equations for the temperature dependence of the average expectation time of n-hexane boiling up in isobars has three empirical constants. A rather accurate description of isobars is obtained at a proper choice of these constants. The result obtained confirms that the idea of Academician V.P. Skripov is successful

Найти похожие

9.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Metastable Lennard-Jones fluids. II. Thermal conductivity / V. G. Baidakov, S. P. Protsenko // Journal of Chemical Physics. - 2014. - Vol.140, №21. - С. 214506. - Bibliogr. : p. 214506 (44 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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
Найти похожие

10.
Инвентарный номер: нет.
   
   P 93


    Protsenko, S. P.
    Melting line, spinodal and the endpoint of the melting line in the system with a modified Lennard-Jones potential [Electronic resource] / S. P. Protsenko, V. G. Baidakov, A. O. Tipeev // Thermophysics and Aeromtchanics. - 2013. - Vol.20, №1. - P93-104. - Bibliogr. : p. 104 (21 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LENNARD-JONES FLUID -- MELTING LINE -- METASTABLE STATE
Аннотация: A molecular dynamics method was used to calculate the pressure p* and the internal energy e* of a liquid and a crystal in stable and metastable states in a system of 2048 particles, which interaction is described by a modified Lennard-Jones potential. For the liquid phase, calculations were performed along 13 isotherms from the range of reduced temperature T* = 0.35-3.0, and for the crystal phase, along 16 isotherms from the range T* =0.1-3.0. The thermal p* = p*(ρ*,T*) and caloric e* = e*(ρ*,T*) equations of state for liquids and crystals have been constructed. The parameters of crystal-liquid phase equilibrium have been determined from the conditions of phases coexistence at positive pressures and in the region of negative pressures, where the coexistent phases are metastable. The spinodal of a stretched liquid has been approximated. It has been found that with a temperature decrease the metastable extension of the melting line meets the spinodal of the liquid phase. The point of their meeting, the endpoint of the melting curve, is the point of termination of crystal-liquid phase equilibrium without the onset of identity of the phases

Найти похожие

 

Сиглы отделов ЦНБ УрО РАН


  бр.ф. - Бронированный фонд

  бф - Научно-библиографический отдел

  БХЛ - Фонд художественной литературы

  ИИиА -Фонд исторической литературы в ЦНБ УрО РАН

  ИМЕТ -Отдел ЦНБ в Институте металлургии УрО РАН

  кх - Отдел фондов (книгохранениe)

  МБА - Межбиблиотечный абонемент

  мф - Методический фонд

  ок - Отдел научной каталогизации

  оку - Отдел комплектования и учета

  орф - Обменно-резервный фонд

  пф - Читальный зал деловой и патентной информации

  рк - Фонд редкой книги

  ч/з - Главный читальный зал

  эр - Зал электронных ресурсов

  

Сиглы библиотек институтов и НЦ УрО РАН
© Международная Ассоциация пользователей и разработчиков электронных библиотек и новых информационных технологий
(Ассоциация ЭБНИТ)
Яндекс.Метрика