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 1-10    11-16 
1.
Инвентарный номер: нет.
   
   S 61


   
    Simulation of noncrystalline silicon nanoparticles: a computer experiment [Текст] / A. E. Galashev, V. A. Polukhin, I. A. Izmodenov, O. R. Rakhmanova // Glass Physics and Chemistry. - 2006. - Vol. 32, № 1. - С. 99-105
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
SILICON
Аннотация: The physical properties of vitreous and amorphous silicon nanoparticles containing 300, 400, and 500 atoms are investigated by the molecular dynamics method. For a limited number of degrees of freedom, the internal energy of the amorphous phase is often less than the internal energy of the vitreous phase. The structure of the central region of silicon nanoparticles is studied in detail by constructing Voronoi polyhedra, which make it possible to determine the mean length of bonds and their number. The differences between the structures of nanoparticles in the amorphous and vitreous states are determined by the differences in the distribution of angles between Si-Si bonds and the distribution of bond lengths. Local arrangements of atoms in vitreous silicon nanoparticles are characterized by larger variations in the interatomic distances. The self-diffusion coefficients determined from mean-square atomic displacements are smaller for amorphous nanoparticles due to dominant diffusion over dangling Si-Si bonds.

\\\\Expert2\\NBO\\Glass Physics and Chemistry\\2006, v. 32, N. 1, p.99.pdf
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2.
Инвентарный номер: нет.
   
   C 74


   
    Computer Study of Glass-Like and Amorphous Silicon Nanoparticles [] / A. E. Galashev, V. A. Polukhin, I. A. Izmodenov, O. A. Galasheva // Поверхность. - 2006. - N 1. - С. 41-49: il., tabl. - Bibliogr.: p. 48-49 (26 ref.) . - ISSN 0207-3528
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
GLASS-LIKE AND AMORPHOUS -- SILICON NANOPARTICLES -- VORONOI POLYHEDRA CONSTRUCTION
Аннотация: Structural properties of vitreous and amorphous silicon nanoparticles containing 300, 400 and 500 atoms were investigated by the molecular dynamics method. The calculated nanoparticles radial distribution Functions and angular distributions of adjoining atoms were compared with the appropriate bulk Si-glass functions. The structure of the central part of silicon nanoparticles was investigatied in detail with the assistance of Voronoi polyhedra construction. The prevalence of five and six fold rings in Si-glasses nanoparticles and the domination of pentagons in amorphous silicon particles were revealed. The lengths of the Si-Si bonds and the number of bonds per atom were determined for nanoparticles under investigated conditions

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3.
Инвентарный номер: нет.
   
   C 74


   
    Computer study of structure of vitreous and amorphous silicon nanoparticles [Текст] / A. E. Galashev, V. A. Polukhin, I. A. Izmodenov, O. A. Galasheva // Poverkhnost. - 2006. - № 1. - С. 41-49
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
SILICON

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4.
Инвентарный номер: нет.
   
   C 74


   
    Computer Study of Glass-Like and Amorphous Silicon Nanoparticles [] / A. E. Galashev, V. A. Polukhin, I. A. Izmodenov, O. A. Galasheva // Поверхность. - 2006. - N 1. - С. 41-49: il., tabl. - Bibliogr.: p. 48-49 (26 ref.) . - ISSN 0207-3528
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
GLASS-LIKE AND AMORPHOUS -- SILICON NANOPARTICLES -- VORONOI POLYHEDRA CONSTRUCTION
Аннотация: Structural properties of vitreous and amorphous silicon nanoparticles containing 300, 400 and 500 atoms were investigated by the molecular dynamics method. The calculated nanoparticles radial distribution Functions and angular distributions of adjoining atoms were compared with the appropriate bulk Si-glass functions. The structure of the central part of silicon nanoparticles was investigatied in detail with the assistance of Voronoi polyhedra construction. The prevalence of five and six fold rings in Si-glasses nanoparticles and the domination of pentagons in amorphous silicon particles were revealed. The lengths of the Si-Si bonds and the number of bonds per atom were determined for nanoparticles under investigated conditions

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5.
Инвентарный номер: нет.
   
   C 74


   
    Computer study of structure of vitreous and amorphous silicon nanoparticles [Текст] / A. E. Galashev, V. A. Polukhin, I. A. Izmodenov, O. A. Galasheva // Poverkhnost. - 2006. - № 1. - С. 41-49
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
SILICON

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6.
Инвентарный номер: нет.
   
   S 61


   
    Simulation of noncrystalline silicon nanoparticles: a computer experiment [Текст] / A. E. Galashev, V. A. Polukhin, I. A. Izmodenov, O. R. Rakhmanova // Glass Physics and Chemistry. - 2006. - Vol. 32, № 1. - С. 99-105
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
SILICON
Аннотация: The physical properties of vitreous and amorphous silicon nanoparticles containing 300, 400, and 500 atoms are investigated by the molecular dynamics method. For a limited number of degrees of freedom, the internal energy of the amorphous phase is often less than the internal energy of the vitreous phase. The structure of the central region of silicon nanoparticles is studied in detail by constructing Voronoi polyhedra, which make it possible to determine the mean length of bonds and their number. The differences between the structures of nanoparticles in the amorphous and vitreous states are determined by the differences in the distribution of angles between Si-Si bonds and the distribution of bond lengths. Local arrangements of atoms in vitreous silicon nanoparticles are characterized by larger variations in the interatomic distances. The self-diffusion coefficients determined from mean-square atomic displacements are smaller for amorphous nanoparticles due to dominant diffusion over dangling Si-Si bonds.

\\\\Expert2\\NBO\\Glass Physics and Chemistry\\2006, v. 32, N. 1, p.99.pdf
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7.
Инвентарный номер: нет.
   
   E 43


   
    Elastic properties and stability of crystalline silicon nanoparticles. Computer experiment. [Текст] / A. E. Galashev, V. A. Polukhin, I. A. Izmodenov, O. A. Galasheva // Poverkhnost. - 2007. - № 10. - С. 60-67
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ELASTIC PROPERTIES

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8.
Инвентарный номер: нет.
   
   M 79


   
    Molecular dynamics simulation of the physicochemical properties of silicon nanoparticles containing 73 atoms [Текст] / A. E. Galashev, V. A. Polukhin, I. A. Izmodenov, O. R. Rakhmanova // Glass Physics and Chemistry. - 2007. - Vol. 33, № 1. - С. 86-95
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR DYNAMICS
Аннотация: The physicochemical properties of 73-atom silicon nanoparticles that have a crystal structure, a random atomic packing, and a packing formed by inserting a 13-atom icosahedron into a 60-atom fullerene are investigated using the molecular dynamics method. Analysis of the behavior of the internal energy, the radial distribution function, the distribution of bond angles, and the specific heat at a constant pressure C p in the temperature range 10–1710 K indicates that a crystalline nanoparticle undergoes melting at a temperature of 710 K and that the structural transformations occurring in particles with an irregular atomic packing exhibit specific features. It is demonstrated that the temperature dependence of the self-diffusion coefficient follows a linear behavior. Local deviations from the linear behavior are most pronounced for the crystalline nanoparticle.

\\\\Expert2\\NBO\\Glass Physics and Chemistry\\2007, v. 33, N 1, p.85.pdf
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9.
Инвентарный номер: нет.
   
   M 79


   
    Molecular dynamics simulation of the physicochemical properties of silicon nanoparticles containing 73 atoms [Текст] / A. E. Galashev, V. A. Polukhin, I. A. Izmodenov, O. R. Rakhmanova // Glass Physics and Chemistry. - 2007. - Vol. 33, № 1. - С. 86-95
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR DYNAMICS
Аннотация: The physicochemical properties of 73-atom silicon nanoparticles that have a crystal structure, a random atomic packing, and a packing formed by inserting a 13-atom icosahedron into a 60-atom fullerene are investigated using the molecular dynamics method. Analysis of the behavior of the internal energy, the radial distribution function, the distribution of bond angles, and the specific heat at a constant pressure C p in the temperature range 10–1710 K indicates that a crystalline nanoparticle undergoes melting at a temperature of 710 K and that the structural transformations occurring in particles with an irregular atomic packing exhibit specific features. It is demonstrated that the temperature dependence of the self-diffusion coefficient follows a linear behavior. Local deviations from the linear behavior are most pronounced for the crystalline nanoparticle.

\\\\Expert2\\NBO\\Glass Physics and Chemistry\\2007, v. 33, N 1, p.85.pdf
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10.
Инвентарный номер: нет.
   
   E 43


   
    Elastic properties and stability of crystalline silicon nanoparticles. Computer experiment. [Текст] / A. E. Galashev, V. A. Polukhin, I. A. Izmodenov, O. A. Galasheva // Poverkhnost. - 2007. - № 10. - С. 60-67
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ELASTIC PROPERTIES

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 1-10    11-16 
 

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