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Поисковый запрос: (<.>K=Si<.>)
Общее количество найденных документов : 26
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 1-10    11-20   21-26 
1.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer investigation of the structure of Si73 clusters surrounded by hydrogen [Текст] / A. E. Galashev, I. A. Izmodenov // Glass Physics and Chemistry. - 2008. - Vol. 34, № 2. - С. 173-181
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
HYDROGEN
Аннотация: The stabilization of the structure of Si73 clusters that are surrounded by 60 hydrogen atoms and subjected to seventeenfold stepwise heating from 35 to 1560 K (in steps of ?90 K) is investigated using the molecular dynamics method. The analysis is performed for clusters of three types, i.e., a particle assembled from an icosahedron and a fullerene, a nanocrystal, and a particle with a random atomic packing. In all cases, an increase in the temperature in the course of heating is accompanied by evaporation of a Si atom from the clusters and an increase in the size of silicon particles. The temperature of detachment of Si atoms from clusters is lowest for the cluster with a random atomic packing and highest for the nanocrystal. The nanoassembled particle has the most stable number (close to four) of Si-Si bonds per atom over the entire temperature range 35 ? T ? 1560 K. For each type of Si73 clusters, the mean length of the Si-Si bond decreases with an increase in the temperature. According to the radial distribution functions, the Si73 clusters have different structures even at the temperature T = 1560 K. The distributions of bond angles reflect the presence of fourfold symmetry elements in the nanoassembled cluster and the nanocrystal. The relative depth of “penetration” of hydrogen atoms into the cluster is largest for the nanocrystal and smallest for the nanoassembled nanoparticle. The largest number of hydrogen atoms is “adsorbed” on the particle with a random atomic packing.

\\\\Expert2\\NBO\\Glass Physics and Chemistry\\2008, v. 34, N 2, p.173.pdf
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2.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer investigation of the structure of Si73 clusters surrounded by hydrogen [Текст] / A. E. Galashev, I. A. Izmodenov // Glass Physics and Chemistry. - 2008. - Vol. 34, № 2. - С. 173-181
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
HYDROGEN
Аннотация: The stabilization of the structure of Si73 clusters that are surrounded by 60 hydrogen atoms and subjected to seventeenfold stepwise heating from 35 to 1560 K (in steps of ?90 K) is investigated using the molecular dynamics method. The analysis is performed for clusters of three types, i.e., a particle assembled from an icosahedron and a fullerene, a nanocrystal, and a particle with a random atomic packing. In all cases, an increase in the temperature in the course of heating is accompanied by evaporation of a Si atom from the clusters and an increase in the size of silicon particles. The temperature of detachment of Si atoms from clusters is lowest for the cluster with a random atomic packing and highest for the nanocrystal. The nanoassembled particle has the most stable number (close to four) of Si-Si bonds per atom over the entire temperature range 35 ? T ? 1560 K. For each type of Si73 clusters, the mean length of the Si-Si bond decreases with an increase in the temperature. According to the radial distribution functions, the Si73 clusters have different structures even at the temperature T = 1560 K. The distributions of bond angles reflect the presence of fourfold symmetry elements in the nanoassembled cluster and the nanocrystal. The relative depth of “penetration” of hydrogen atoms into the cluster is largest for the nanocrystal and smallest for the nanoassembled nanoparticle. The largest number of hydrogen atoms is “adsorbed” on the particle with a random atomic packing.

\\\\Expert2\\NBO\\Glass Physics and Chemistry\\2008, v. 34, N 2, p.173.pdf
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3.
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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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 physical properties of silicon nanostructures [Текст] / A. E. Galashev, I. A. Izmodenov, A. N. Novruzov, O. A. Novruzova // Semiconductors. - 2007. - Vol. 41, № 2. - С. 190-196
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
PHYSICAL PROPERTIES
Аннотация: The method of molecular dynamics is applied to the study of variations in the physical properties of vitreous and amorphous silicon nanoparticles when heated from 300 to 1700 K. The nanoparticles consist of 300, 400, and 500 atoms. The energy and the average length of the Si-Si bond are calculated, and the average number of bonds per atom is determined. Thermally induced strains tend to change the distribution of the excess potential energy among the concentric layers in the nanoparticles. It is shown that, energetically, the most preferential layer is the middle spherical layer of the “warm” nanoparticle. The temperature behavior of the radial and tangential components of the atomic mobility coefficient in the concentric layers is considered. It is established that there is a liquid layer at the nanoparticle surface in the vicinity of the transition to melting. The vitrified Sin nanoparticles are kinetically more stable than the similar-sized amorphous particles.

\\\\Expert2\\NBO\\Semiconductors (ФТП)\\2007, v.41, N 2, p.190.pdf
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6.
Инвентарный номер: нет.
   
   C 74

   
    Computer study of physical properties of silicon nanostructures [Текст] / A. E. Galashev, I. A. Izmodenov, A. N. Novruzov, O. A. Novruzova // Semiconductors. - 2007. - Vol. 41, № 2. - С. 190-196
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
PHYSICAL PROPERTIES
Аннотация: The method of molecular dynamics is applied to the study of variations in the physical properties of vitreous and amorphous silicon nanoparticles when heated from 300 to 1700 K. The nanoparticles consist of 300, 400, and 500 atoms. The energy and the average length of the Si-Si bond are calculated, and the average number of bonds per atom is determined. Thermally induced strains tend to change the distribution of the excess potential energy among the concentric layers in the nanoparticles. It is shown that, energetically, the most preferential layer is the middle spherical layer of the “warm” nanoparticle. The temperature behavior of the radial and tangential components of the atomic mobility coefficient in the concentric layers is considered. It is established that there is a liquid layer at the nanoparticle surface in the vicinity of the transition to melting. The vitrified Sin nanoparticles are kinetically more stable than the similar-sized amorphous particles.

\\\\Expert2\\NBO\\Semiconductors (ФТП)\\2007, v.41, N 2, p.190.pdf
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7.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer-assisted study of silver absorption by porous silicon dioxide nanoparticles [Электронный ресурс] / A. E. Galashev, V. A. Polukhin // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2011. - Vol.73, №6. - P761-767
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
IR ABSORPTION -- STRETCHING VIBRATIONS -- SURFACE GROUPS
Аннотация: The absorption of silver atoms by porous silicon dioxide particles is studied by the molecular dynamics method. Upon the absorption of silver atoms, (SiO 2) 50 nanoparticles do not increase their volume. A particle is divided into two unequal parts by an island shell formed from SiO 2 structural units, which causes anisotropy in the electrical and thermal conductivity of the nanocomposite. IR absorption and emission spectra, Raman spectra, as well as the number of electrons active with respect to IR radiation are calculated. The calculated absorption spectra show the mode corresponding to the stretching vibrations of Si-O surface groups. The addition of silver atoms to nanoparticles can enhance significantly the power of heat radiation emission

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8.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer-assisted study of silver absorption by porous silicon dioxide nanoparticles [Электронный ресурс] / A. E. Galashev, V. A. Polukhin // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2011. - Vol.73, №6. - P761-767
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
IR ABSORPTION -- STRETCHING VIBRATIONS -- SURFACE GROUPS
Аннотация: The absorption of silver atoms by porous silicon dioxide particles is studied by the molecular dynamics method. Upon the absorption of silver atoms, (SiO 2) 50 nanoparticles do not increase their volume. A particle is divided into two unequal parts by an island shell formed from SiO 2 structural units, which causes anisotropy in the electrical and thermal conductivity of the nanocomposite. IR absorption and emission spectra, Raman spectra, as well as the number of electrons active with respect to IR radiation are calculated. The calculated absorption spectra show the mode corresponding to the stretching vibrations of Si-O surface groups. The addition of silver atoms to nanoparticles can enhance significantly the power of heat radiation emission

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9.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Growth of a Si nanocrystal in an oxygen atmosphere. Computer simulation / A. E. Galashev // Crystallography Reports. - 2002. - Vol. 47, Suppliment 1 . - S169-S176
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
Si NANOCRYSTAL -- ATOMIC-OXYGEN ATMOSPHERE -- INTERNAL STRESSES

\\\\Expert2\\NBO\\Crystallography Reports (Кристаллография)\\2002, v. 47, Suppl. 1, p. S169.pdf
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10.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Growth of a Si nanocrystal in an oxygen atmosphere. Computer simulation / A. E. Galashev // Crystallography Reports. - 2002. - Vol. 47, Suppliment 1 . - S169-S176
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
Si NANOCRYSTAL -- ATOMIC-OXYGEN ATMOSPHERE -- INTERNAL STRESSES

\\\\Expert2\\NBO\\Crystallography Reports (Кристаллография)\\2002, v. 47, Suppl. 1, p. S169.pdf
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