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 Найдено в других БД:Каталог книг и продолжающихся изданий (5)Каталог препринтов УрО РАН (1975 г. - ) (1)Нанотехнологии (1)Труды Института высокотемпературной электрохимии УрО РАН (2)Труды сотрудников Института органического синтеза УрО РАН (10)Труды сотрудников Института химии твердого тела УрО РАН (29)Расплавы (2)Публикации Чарушина В.Н. (1)
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Общее количество найденных документов : 76
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1.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Atomic dynamics and the size of metal clusters [] : a computer experiment / A. E. Galashev // Surface (Russia). - 1997. - N2. - С. 5-13
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
DYNAMICS ATOMIC -- CLUSTERS METAL -- Na -- Al -- Pb -- CRYSTAL
Аннотация: A computer study of atomic dynamics of metal clusters Na229, Al201 and Pb201 whose intial packing corresponded to extended crystals was carried out. The change of mobility in the radial direction of clusters was inverstigated. A reduction in lattice parameters of clusters Al201, Pb201 and some increase of the size of cluster Na229 have been found

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2.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Atomic dynamics and the size of metal clusters [] : a computer experiment / A. E. Galashev // Surface (Russia). - 1997. - N2. - С. 5-13
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
DYNAMICS ATOMIC -- CLUSTERS METAL -- Na -- Al -- Pb -- CRYSTAL
Аннотация: A computer study of atomic dynamics of metal clusters Na229, Al201 and Pb201 whose intial packing corresponded to extended crystals was carried out. The change of mobility in the radial direction of clusters was inverstigated. A reduction in lattice parameters of clusters Al201, Pb201 and some increase of the size of cluster Na229 have been found

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3.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Melting of the lead cluster in a molecular-dynamic model [] / A. E. Galashev // Surface (Russia). - 1998. - N11. - С. 68-75
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MELTING OF CLUSTERS -- CLUSTERS LEAD -- MODEL MOLECULAR-DYNAMIC

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4.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Melting of the lead cluster in a molecular-dynamic model [] / A. E. Galashev // Surface (Russia). - 1998. - N11. - С. 68-75
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MELTING OF CLUSTERS -- CLUSTERS LEAD -- MODEL MOLECULAR-DYNAMIC

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5.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Surface Tension and Structure of Crystalline Lead Cluster in the Molecular-Dynamics Model [] / A. E. Galashev // Crystallography Reports. - 1999. - V.44, N2. - С. 203-208
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
TENSION SURFACE -- STRUCTURE OF CLUSTERS -- CLUSTERS CRYSTALLINE -- CLUSTERS LEAD -- MODEL MOLECULAR-DYNAMICS
Аннотация: The geometrical and physical properties of a Pb-201 cluster in which the initial atomic packing corresponded to an extended Pb crystal has been studied by the molecular-dynamics methods. The surface tension of a microcrystal was calculated by the modified relationships of the drop theory with the use of the radial profiles of the normal and tangential pressure-tenser components determined by the method of radial profiles. The structure of a crystalline lead cluster was studied in the temperature range determined by the limit of its kinetic stability

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6.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Surface Tension and Structure of Crystalline Lead Cluster in the Molecular-Dynamics Model [] / A. E. Galashev // Crystallography Reports. - 1999. - V.44, N2. - С. 203-208
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
TENSION SURFACE -- STRUCTURE OF CLUSTERS -- CLUSTERS CRYSTALLINE -- CLUSTERS LEAD -- MODEL MOLECULAR-DYNAMICS
Аннотация: The geometrical and physical properties of a Pb-201 cluster in which the initial atomic packing corresponded to an extended Pb crystal has been studied by the molecular-dynamics methods. The surface tension of a microcrystal was calculated by the modified relationships of the drop theory with the use of the radial profiles of the normal and tangential pressure-tenser components determined by the method of radial profiles. The structure of a crystalline lead cluster was studied in the temperature range determined by the limit of its kinetic stability

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7.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Comparison of Different Approaches to the Determination of the Work of Critical Cluster Formation / V. G. Baidakov, G. Sh. Boltachev, J. W. P. Schmelzer // Journal of Colloid and Interface Sience. - 2000. - Vol. 231, № 2. - С. 312-321
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRITICAL CLUSTER -- GIBBS' METHOD -- NUCLEATION RATES
Аннотация: A comparative analysis of the results of determination of the work of critical cluster formation in nucleation theory for three different methods of evaluation—Gibbs' method, the van der Waals-Cahn and Hilliard, and a newly developed modified Gibbs' approach—is given. As a model system for comparison, regular solutions are chosen. In addition to the work of critical cluster formation, the composition of the critical clusters, their characteristic sizes and the values of the surface tension are determined in dependence on the initial supersaturation in the system or, equivalently, on the size of the critical clusters. It is found, in particular, that, for regular solutions, Tolman's equation cannot serve as a first approximation for the description of the curvature dependence of the surface tension even for large cluster sizes and an alternative formula is developed. It is shown that the latter two mentioned methods of determination of the work of critical cluster formation (the van der Waals-Cahn and Hilliard and the modified Gibbs' approach) lead—at least for the model system considered—to qualitatively and partly quantitatively equivalent results. Nevertheless, differences remain which may lead to quantitative deviations when applied to the determination of the steady-state nucleation rates. The possible origin of such deviations is discussed and some further directions of analysis are anticipated

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8.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Comparison of Different Approaches to the Determination of the Work of Critical Cluster Formation / V. G. Baidakov, G. Sh. Boltachev, J. W. P. Schmelzer // Journal of Colloid and Interface Sience. - 2000. - Vol. 231, № 2. - С. 312-321
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRITICAL CLUSTER -- GIBBS' METHOD -- NUCLEATION RATES
Аннотация: A comparative analysis of the results of determination of the work of critical cluster formation in nucleation theory for three different methods of evaluation—Gibbs' method, the van der Waals-Cahn and Hilliard, and a newly developed modified Gibbs' approach—is given. As a model system for comparison, regular solutions are chosen. In addition to the work of critical cluster formation, the composition of the critical clusters, their characteristic sizes and the values of the surface tension are determined in dependence on the initial supersaturation in the system or, equivalently, on the size of the critical clusters. It is found, in particular, that, for regular solutions, Tolman's equation cannot serve as a first approximation for the description of the curvature dependence of the surface tension even for large cluster sizes and an alternative formula is developed. It is shown that the latter two mentioned methods of determination of the work of critical cluster formation (the van der Waals-Cahn and Hilliard and the modified Gibbs' approach) lead—at least for the model system considered—to qualitatively and partly quantitatively equivalent results. Nevertheless, differences remain which may lead to quantitative deviations when applied to the determination of the steady-state nucleation rates. The possible origin of such deviations is discussed and some further directions of analysis are anticipated

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9.
Инвентарный номер: нет.
   
   S 34

    Schmelzer, J. W. P.
    Kinetics of Condensation and Boiling: Comparison of Different Approaches / J. W. P. Schmelzer, V. G. Baidakov // Journal of Physical Chemistry B. - 2001. - Vol.105, №47. - С. 11595-11604
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRITICAL CLUSTER -- GIBBS' METHOD -- VAN-DER-WAALS METHOD -- HILLIARD METHOD
Аннотация: A comparative analysis of the results of determination of the work of critical cluster formation in nucleation theory for three different methods of evaluationGibbs' method (employing the capillarity approximation), the van der Waals−Cahn and Hilliard method, and a newly developed modified Gibbs approachis given. As a particular application, the processes of condensation and boiling in one-component fluids are analyzed. As a model system for comparison, van der Waals fluids are chosen. In addition to the work of critical cluster formation, the bulk properties of the critical clusters (drops or bubbles), their characteristic sizes, and the values of the surface tension are determined in dependence on the initial supersaturation in the system or, equivalently, on the size of the critical clusters. It is shown that latter two mentioned methods of determination of the work of critical cluster formation (the van der Waals−Cahn & Hilliard and the modified Gibbs approach) leadat least for the model system consideredto qualitatively and partly quantitatively equivalent results. Nevertheless, differences remain which may lead to quantitative deviations when applied to the determination of the steady-state nucleation rates and further basic characteristics of nucleation-growth processes. The possible origin of such deviations is discussed, and some further directions of analysis are anticipated

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10.
Инвентарный номер: нет.
   
   S 34

    Schmelzer, J. W. P.
    Kinetics of Condensation and Boiling: Comparison of Different Approaches / J. W. P. Schmelzer, V. G. Baidakov // Journal of Physical Chemistry B. - 2001. - Vol.105, №47. - С. 11595-11604
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRITICAL CLUSTER -- GIBBS' METHOD -- VAN-DER-WAALS METHOD -- HILLIARD METHOD
Аннотация: A comparative analysis of the results of determination of the work of critical cluster formation in nucleation theory for three different methods of evaluationGibbs' method (employing the capillarity approximation), the van der Waals−Cahn and Hilliard method, and a newly developed modified Gibbs approachis given. As a particular application, the processes of condensation and boiling in one-component fluids are analyzed. As a model system for comparison, van der Waals fluids are chosen. In addition to the work of critical cluster formation, the bulk properties of the critical clusters (drops or bubbles), their characteristic sizes, and the values of the surface tension are determined in dependence on the initial supersaturation in the system or, equivalently, on the size of the critical clusters. It is shown that latter two mentioned methods of determination of the work of critical cluster formation (the van der Waals−Cahn & Hilliard and the modified Gibbs approach) leadat least for the model system consideredto qualitatively and partly quantitatively equivalent results. Nevertheless, differences remain which may lead to quantitative deviations when applied to the determination of the steady-state nucleation rates and further basic characteristics of nucleation-growth processes. The possible origin of such deviations is discussed, and some further directions of analysis are anticipated

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11.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Application of Molecular Dynamic Simulation of Water Clusters with CO and CO2 Molecules to Binary Nucleation Problems / A. E. Galashev, V. N. Chukanov, G. I. Pozharskaya // Journal of Structural Chemistry. - 2002. - Vol. 43, № 3. - С. 449-457 : рис.
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
GLOBAL CLUSTER GEOMETRY OPTIMIZATION -- THERMODYNAMIC PROPERTIES -- CLUSTERS

\\\\Expert2\\NBO\\Journal of Structural Chemistry\\2002, V. 43, N 3, p.449.pdf
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12.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Application of Molecular Dynamic Simulation of Water Clusters with CO and CO2 Molecules to Binary Nucleation Problems / A. E. Galashev, V. N. Chukanov, G. I. Pozharskaya // Journal of Structural Chemistry. - 2002. - Vol. 43, № 3. - С. 449-457 : рис.
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
GLOBAL CLUSTER GEOMETRY OPTIMIZATION -- THERMODYNAMIC PROPERTIES -- CLUSTERS

\\\\Expert2\\NBO\\Journal of Structural Chemistry\\2002, V. 43, N 3, p.449.pdf
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13.
Инвентарный номер: нет.
   
   S 34

    Schmelzer, J. W. P.
    On different possibilities of a thermodynamically consistent determination of the work of critical cluster formation in nucleation theory / J. W. P. Schmelzer, V. G. Baidakov // Journal of Chemical Physics. - 2003. - Vol.119, №20. - С. 10759-10763
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
THERMODYNAMIC PROPERTIES -- CLUSTERS -- NUCLEATION
Аннотация: In a recent paper [J. Chem. Phys. 118, 1837 (2003)], Kashchiev claimed to have developed a general thermodynamically consistent formula allowing one to describe correctly the work of critical cluster formation in one-component systems for a variety of cases of formation of gaseous, liquid, and solid phases. It is shown that most of the consequences drawn lack any substantiation

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14.
Инвентарный номер: нет.
   
   S 34

    Schmelzer, J. W. P.
    On different possibilities of a thermodynamically consistent determination of the work of critical cluster formation in nucleation theory / J. W. P. Schmelzer, V. G. Baidakov // Journal of Chemical Physics. - 2003. - Vol.119, №20. - С. 10759-10763
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
THERMODYNAMIC PROPERTIES -- CLUSTERS -- NUCLEATION
Аннотация: In a recent paper [J. Chem. Phys. 118, 1837 (2003)], Kashchiev claimed to have developed a general thermodynamically consistent formula allowing one to describe correctly the work of critical cluster formation in one-component systems for a variety of cases of formation of gaseous, liquid, and solid phases. It is shown that most of the consequences drawn lack any substantiation

Найти похожие
15.
Инвентарный номер: нет.
   
   S 34

    Schmelzer, J. W. P.
    Kinetics of boiling in binary liquid–gas solutions: Comparison of different approaches / J. W. P. Schmelzer, V. G. Baidakov, G. Sh. Boltachev // Journal of Chemical Physics. - 2003. - Vol.119, №12. - С. 6166-6183
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRITICAL CLUSTER -- GIBBS' METHOD -- VAN-DER-WAALS
Аннотация: A comparative analysis of the results of determination of the work of critical cluster formation in nucleation theory for three different methods of evaluation—Gibbs’ method (employing the capillarity approximation), the van der Waals–Cahn and Hilliard and a newly developed modified Gibbs’ approach—is given in application to phase formation in multicomponent systems. As an example, processes of boiling in binary liquid–gas solutions, in particular, in nitrogen–helium mixtures are investigated. In addition to the work of critical cluster formation, the bulk properties of the critical bubbles, their characteristic sizes and the values of the surface tension are determined in dependence on the initial supersaturation in the system or, equivalently, on the size of the critical clusters. It is shown that latter two mentioned methods (the van der Waals–Cahn and Hilliard and the modified Gibbs’ approach) lead, in the determination of the work of critical cluster formation, to qualitatively and widely even quantitatively equivalent results. As one of the more general consequences from the present analysis, it has been proven that the modified Gibbs’ approach represents a highly effective tool for the determination of the work of formation of clusters or bubbles of critical sizes not only for one-component and quasibinary systems, discussed earlier, but for phase formation in multicomponent systems of, in general, arbitrary numbers of components as well. It is shown that the modified Gibbs’ approach is preferable as compared with Gibbs’ original treatment not only due to its advantages with respect to an appropriate determination of the properties of clusters of critical sizes, but also from general theoretical considerations. In the limit of large sizes of the critical clusters, both approaches—Gibbs’ original treatment and the modified or generalized Gibbs’ approach—lead to equivalent results

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16.
Инвентарный номер: нет.
   
   S 34

    Schmelzer, J. W. P.
    Kinetics of boiling in binary liquid–gas solutions: Comparison of different approaches / J. W. P. Schmelzer, V. G. Baidakov, G. Sh. Boltachev // Journal of Chemical Physics. - 2003. - Vol.119, №12. - С. 6166-6183
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRITICAL CLUSTER -- GIBBS' METHOD -- VAN-DER-WAALS
Аннотация: A comparative analysis of the results of determination of the work of critical cluster formation in nucleation theory for three different methods of evaluation—Gibbs’ method (employing the capillarity approximation), the van der Waals–Cahn and Hilliard and a newly developed modified Gibbs’ approach—is given in application to phase formation in multicomponent systems. As an example, processes of boiling in binary liquid–gas solutions, in particular, in nitrogen–helium mixtures are investigated. In addition to the work of critical cluster formation, the bulk properties of the critical bubbles, their characteristic sizes and the values of the surface tension are determined in dependence on the initial supersaturation in the system or, equivalently, on the size of the critical clusters. It is shown that latter two mentioned methods (the van der Waals–Cahn and Hilliard and the modified Gibbs’ approach) lead, in the determination of the work of critical cluster formation, to qualitatively and widely even quantitatively equivalent results. As one of the more general consequences from the present analysis, it has been proven that the modified Gibbs’ approach represents a highly effective tool for the determination of the work of formation of clusters or bubbles of critical sizes not only for one-component and quasibinary systems, discussed earlier, but for phase formation in multicomponent systems of, in general, arbitrary numbers of components as well. It is shown that the modified Gibbs’ approach is preferable as compared with Gibbs’ original treatment not only due to its advantages with respect to an appropriate determination of the properties of clusters of critical sizes, but also from general theoretical considerations. In the limit of large sizes of the critical clusters, both approaches—Gibbs’ original treatment and the modified or generalized Gibbs’ approach—lead to equivalent results

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17.
Инвентарный номер: нет.
   
   S 34

    Schmelzer, J. W. P.
    Comment on “Multicomponent nucleation: Thermodynamically consistent description of the nucleation work” / J. W. P. Schmelzer, V. G. Baidakov // Journal of Chemical Physics. - 2004. - Vol.121, №3. - С. 1644-1645
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
THERMODYNAMICALLY CONSISTENT -- NUCLEATIONS -- CRITICAL CLUSTER
Аннотация: In the above cited paper, Kashchiev extends the “thermodynamically consistent” description of nucleation work to phase formation processes in multicomponent systems. It is claimed that this approach is generally applicable widely independent on the kind of phase transformation considered. In contrast to this statement, it is shown in our Comment that Kashchiev’s approach is theoretically not well founded. It contains, in addition, a number of assumptions, which are not generally fulfilled. Because of this his method cannot give, in general, a satisfactory determination of the work of critical cluster formation in nucleation theory. An experimental example is given verifying our

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18.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer Simulation of the Stability of Water Clusters Containing Nitrogen Oxide Molecules [Текст] / A. E. Galashev, V. N. Chukanov // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2004. - Vol. 66, № 5. - С. 523-530
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
WATER CLUSTERS
Аннотация: The stability of water clusters containing nitrogen oxide molecules is studied by the molecular dynamics method. The composition and size of thermodynamically stable heteroclusters are determined. The inclusion of two molecules of nitrogen oxide into aggregates containing seven or more water molecule increases the cluster stability. The correlation between the stability of heteroclusters and the ratio of self-diffusion coefficients of molecules of different kinds is observed. The real part of the cluster permittivity is maximal in the vicinity of the frequency of 200 cm–1. The inclusion of nitrogen oxide molecules into water clusters increases the characteristic frequency of dielectric relaxation. In general, heteroclusters are more stable with respect to perturbations caused by an external electric field than pure clusters with the same number of water molecules. The clusterization of water vapors accompanied by absorption of polar molecules of impurity favors a decrease in the greenhouse effect.

\\\\Expert2\\NBO\\Colloid Journal\\2004, V.66, N5,523.pdf
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19.
Инвентарный номер: нет.
   
   S 34

    Schmelzer, J. W. P.
    Comment on “Multicomponent nucleation: Thermodynamically consistent description of the nucleation work” / J. W. P. Schmelzer, V. G. Baidakov // Journal of Chemical Physics. - 2004. - Vol.121, №3. - С. 1644-1645
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
THERMODYNAMICALLY CONSISTENT -- NUCLEATIONS -- CRITICAL CLUSTER
Аннотация: In the above cited paper, Kashchiev extends the “thermodynamically consistent” description of nucleation work to phase formation processes in multicomponent systems. It is claimed that this approach is generally applicable widely independent on the kind of phase transformation considered. In contrast to this statement, it is shown in our Comment that Kashchiev’s approach is theoretically not well founded. It contains, in addition, a number of assumptions, which are not generally fulfilled. Because of this his method cannot give, in general, a satisfactory determination of the work of critical cluster formation in nucleation theory. An experimental example is given verifying our

Найти похожие
20.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer Simulation of the Stability of Water Clusters Containing Nitrogen Oxide Molecules [Текст] / A. E. Galashev, V. N. Chukanov // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2004. - Vol. 66, № 5. - С. 523-530
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
WATER CLUSTERS
Аннотация: The stability of water clusters containing nitrogen oxide molecules is studied by the molecular dynamics method. The composition and size of thermodynamically stable heteroclusters are determined. The inclusion of two molecules of nitrogen oxide into aggregates containing seven or more water molecule increases the cluster stability. The correlation between the stability of heteroclusters and the ratio of self-diffusion coefficients of molecules of different kinds is observed. The real part of the cluster permittivity is maximal in the vicinity of the frequency of 200 cm–1. The inclusion of nitrogen oxide molecules into water clusters increases the characteristic frequency of dielectric relaxation. In general, heteroclusters are more stable with respect to perturbations caused by an external electric field than pure clusters with the same number of water molecules. The clusterization of water vapors accompanied by absorption of polar molecules of impurity favors a decrease in the greenhouse effect.

\\\\Expert2\\NBO\\Colloid Journal\\2004, V.66, N5,523.pdf
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