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1.
Инвентарный номер: нет.
   
   М 74


   
    Моделирование методом молекулярной динамики физико-химических свойств 73-атомных наночастиц кремния [Текст] = Molecular dynamics simulation of the physicochemical properties of silicon nanoparticles containing 73 atoms / А. Е. Галашев, В. А. Полухин, И. А. Измоденов, О. Р. Рахманова // Физика и химия стекла. - 2007. - Т. 33, № 1. - С. 119-130 : рис., табл. - Библиогр.: с. 129 -130 (30 назв.) . - ISSN 0132-6651
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
МОДЕЛИРОВАНИЕ -- МОЛЕКУЛЯРНАЯ ДИНАМИКА -- 73-АТОМНЫЕ СВОЙСТВА -- НАНОЧАСТИЦЫ КРЕМНИЯ

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2.
Инвентарный номер: нет.
   
   М 74


   
    Моделирование методом молекулярной динамики физико-химических свойств 73-атомных наночастиц кремния [Текст] = Molecular dynamics simulation of the physicochemical properties of silicon nanoparticles containing 73 atoms / А. Е. Галашев, В. А. Полухин, И. А. Измоденов, О. Р. Рахманова // Физика и химия стекла. - 2007. - Т. 33, № 1. - С. 119-130 : рис., табл. - Библиогр.: с. 129 -130 (30 назв.) . - ISSN 0132-6651
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
МОДЕЛИРОВАНИЕ -- МОЛЕКУЛЯРНАЯ ДИНАМИКА -- 73-АТОМНЫЕ СВОЙСТВА -- НАНОЧАСТИЦЫ КРЕМНИЯ

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3.
Инвентарный номер: нет.
   
   К 63


   
    Компьютерное изучение растяжения некристаллических наночастиц кремния [Текст] = Computer simulation of the tension of noncrystalline silicon nanoparticles / А. Е. Галашев, И. А. Измоденов, О. Р. Рахманова, О. А. Новрузова // Физика и химия стекла. - 2007. - Т. 33, № 2. - С. 216-227 : рис., табл. - Библиогр.: с. 227-228 (17 назв.) . - ISSN 0132-6651
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
МЕТОД МОЛЕКУЛЯРНОЙ ДИНАМИКИ -- НЕКРИСТАЛЛИЧЕСКИЕ НАНОЧАСТИЦЫ КРЕМНИЯ -- РАСТЯЖЕНИЕ

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4.
Инвентарный номер: нет.
   
   К 63


   
    Компьютерное изучение растяжения некристаллических наночастиц кремния [Текст] = Computer simulation of the tension of noncrystalline silicon nanoparticles / А. Е. Галашев, И. А. Измоденов, О. Р. Рахманова, О. А. Новрузова // Физика и химия стекла. - 2007. - Т. 33, № 2. - С. 216-227 : рис., табл. - Библиогр.: с. 227-228 (17 назв.) . - ISSN 0132-6651
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
МЕТОД МОЛЕКУЛЯРНОЙ ДИНАМИКИ -- НЕКРИСТАЛЛИЧЕСКИЕ НАНОЧАСТИЦЫ КРЕМНИЯ -- РАСТЯЖЕНИЕ

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5.
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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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.
   
   R 96


    Rutin, S. B.
    Apparatus for studying heat transfer in nanofluids under high-power heating [Electronic resource] / S. B. Rutin, P. V. Skripov // Journal of Engineering Thermophysics. - 2012. - Vol.21, №2. - P144-153. - Bibliogr. : p. 153 (19 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
HEAT TRAHSFER -- HIGH-POWER HEATING -- ELECTRONIC CONTROL
Аннотация: A technique of electronic control of the probe heating power is developed using the method of controlled pulse heating of a wire probe, that is a resistance thermometer, was developed. An apparatus implementing this technique was fabricated. The characteristic parameters of the apparatus are as follows: the heating pulse length, 1 to 10 ms; the heat flux density through the surface of a 20 µm probe, 1 to 10 MW/m2; repeatability of selected power value in a series of pulses is on a level of 0.05%. As an example, the constant heating power mode is applied for comparing the thermal resistance of nanofluids in the region of stable states of liquid and superheated (with respect to the liquid-vapor equilibrium temperature of the base liquid) ones. The parameter was the content of Al2O3 nanoparticles in the base liquid (isopropanol).

\\\\expert2\\NBO\\Journal of Engineering Thermophysics\\2012, V.31, N 2. P. 144-153.pdf
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8.
Инвентарный номер: нет.
   
   R 96


    Rutin, S. B.
    Apparatus for studying heat transfer in nanofluids under high-power heating [Electronic resource] / S. B. Rutin, P. V. Skripov // Journal of Engineering Thermophysics. - 2012. - Vol.21, №2. - P144-153. - Bibliogr. : p. 153 (19 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
HEAT TRAHSFER -- HIGH-POWER HEATING -- ELECTRONIC CONTROL
Аннотация: A technique of electronic control of the probe heating power is developed using the method of controlled pulse heating of a wire probe, that is a resistance thermometer, was developed. An apparatus implementing this technique was fabricated. The characteristic parameters of the apparatus are as follows: the heating pulse length, 1 to 10 ms; the heat flux density through the surface of a 20 µm probe, 1 to 10 MW/m2; repeatability of selected power value in a series of pulses is on a level of 0.05%. As an example, the constant heating power mode is applied for comparing the thermal resistance of nanofluids in the region of stable states of liquid and superheated (with respect to the liquid-vapor equilibrium temperature of the base liquid) ones. The parameter was the content of Al2O3 nanoparticles in the base liquid (isopropanol).

\\\\expert2\\NBO\\Journal of Engineering Thermophysics\\2012, V.31, N 2. P. 144-153.pdf
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9.
Инвентарный номер: нет.
   
   P 80


    Polukhin, V. A.
    Structure and thermal stability of noncrystalline silicon nanoparticles during heating and melting / V. A. Polukhin, A. E. Galashev // RUSSIAN METALLURGY. - 2010. - Vol. 2010, № 2. - С. 116-123
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
KINETIC PROPERTIES -- NANOPARTICLES -- GLASSY NANOPARTICLES

\\\\Expert2\\NBO\\Russian Metallurgy\\2010, N. 2, p.116.pdf
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10.
Инвентарный номер: нет.
   
   P 80


    Polukhin, V. A.
    Structure and thermal stability of noncrystalline silicon nanoparticles during heating and melting / V. A. Polukhin, A. E. Galashev // RUSSIAN METALLURGY. - 2010. - Vol. 2010, № 2. - С. 116-123
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
KINETIC PROPERTIES -- NANOPARTICLES -- GLASSY NANOPARTICLES

\\\\Expert2\\NBO\\Russian Metallurgy\\2010, N. 2, p.116.pdf
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11.
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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12.
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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13.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Temperature changes of the optical properties of (SiO2) n, (GaAs) m, and (SiO2) n (GaAs) m nanoparticles: Computer experiment [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // High Temperature. - 2013. - Vol.51, №1. - P97-105
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
GALLIUM ARSENIDE -- PERMITTIVITY -- SEMICONDUCTING GALLIUM
Аннотация: The optical properties of silicon dioxide and gallium arsenide nanoparticles and the four-component particles based on them were calculated by the molecular dynamics method. The complex dielectric permittivity, infrared and Raman spectra, refractive index, and absorption coefficient of these nano particles were determined. The temperature dependences of the infrared and Raman spectra and the number of the optically active electrons in the nanoparticles composed of a semiconductor and/or a dielectric were investigated

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14.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Temperature changes of the optical properties of (SiO2) n, (GaAs) m, and (SiO2) n (GaAs) m nanoparticles: Computer experiment [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // High Temperature. - 2013. - Vol.51, №1. - P97-105
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
GALLIUM ARSENIDE -- PERMITTIVITY -- SEMICONDUCTING GALLIUM
Аннотация: The optical properties of silicon dioxide and gallium arsenide nanoparticles and the four-component particles based on them were calculated by the molecular dynamics method. The complex dielectric permittivity, infrared and Raman spectra, refractive index, and absorption coefficient of these nano particles were determined. The temperature dependences of the infrared and Raman spectra and the number of the optically active electrons in the nanoparticles composed of a semiconductor and/or a dielectric were investigated

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15.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Stability of mono and polyvacancies in Nickel nanoparticles [Текст] / A. E. Galashev // Poverkhnost. - 2005. - № 1. - С. 77-84
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
NICHEL NANOPARTICLES

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16.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Stability of mono and polyvacancies in Nickel nanoparticles [Текст] / A. E. Galashev // Poverkhnost. - 2005. - № 1. - С. 77-84
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
NICHEL NANOPARTICLES

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17.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Modeling the infrared and raman spectra of silicon dioxide clusters absorbing water [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, l. A. Zemnukhova // Russian Journal of Physical Chemistry A, Focus on Chemistry. - 2011. - Vol.85, №6. - P955-960
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
IR AND RAMAN SPECTRA -- MOLECULAR DYNAMICS METHOD -- SILICON DIOXIDE CLUSTERS
Аннотация: The effect of absorbed water on the dielectric properties of silicon dioxide nanoparticles is studied by the molecular dynamic method. It is demonstrated using the model of flexible molecules that increasing the number of water molecules in the (SiO2)50 cluster to 40 results in an enhancement of absorption of infrared radiation over the frequency range 0 cm-1 ≤ ω ≤ 1000 cm-1. It is ascertained that the absorption of water molecules by the (SiO2)50 cluster considerably alters the shape of Raman spectra of light, smoothing all the peaks after the first one, and that water molecules are concentrated near the cluster surface formed by SiO2 structural units

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18.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Modeling the infrared and raman spectra of silicon dioxide clusters absorbing water [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, l. A. Zemnukhova // Russian Journal of Physical Chemistry A, Focus on Chemistry. - 2011. - Vol.85, №6. - P955-960
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
IR AND RAMAN SPECTRA -- MOLECULAR DYNAMICS METHOD -- SILICON DIOXIDE CLUSTERS
Аннотация: The effect of absorbed water on the dielectric properties of silicon dioxide nanoparticles is studied by the molecular dynamic method. It is demonstrated using the model of flexible molecules that increasing the number of water molecules in the (SiO2)50 cluster to 40 results in an enhancement of absorption of infrared radiation over the frequency range 0 cm-1 ≤ ω ≤ 1000 cm-1. It is ascertained that the absorption of water molecules by the (SiO2)50 cluster considerably alters the shape of Raman spectra of light, smoothing all the peaks after the first one, and that water molecules are concentrated near the cluster surface formed by SiO2 structural units

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19.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    IR absorption and Raman spectra of silicon dioxide nanoparticles in the presence of water: Computer experiment [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, A. A. Borisikhin // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol.72, №6. - P771-779
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ABSORPTION COEFFICIENTS -- COMPUTER EXPERIMENT -- ELECTROMAGNETIC RADIATION
Аннотация: Interactions of (SiO 2) 50 clusters with 10, 20, 30, or 40 water molecules are studied by molecular dynamics method. Flat SiO 2 nanoparticle covered with a water layer is formed after the inclusion of water molecules into the cluster. As a rule, the integral intensity of IR and Raman spectra lowers after the absorption of H 2O molecules by the cluster. The power of IR radiation emitted by the cluster increases nonmonotonically with the addition of water molecules to the cluster. The absorption of water molecules by the cluster leads to a significant increase in the absorption coefficient and only a slight increase in the refractive index. The number of electrons participating in the interaction with electromagnetic radiation increases with the addition of water molecules to the cluster

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20.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    IR absorption and Raman spectra of silicon dioxide nanoparticles in the presence of water: Computer experiment [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, A. A. Borisikhin // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol.72, №6. - P771-779
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ABSORPTION COEFFICIENTS -- COMPUTER EXPERIMENT -- ELECTROMAGNETIC RADIATION
Аннотация: Interactions of (SiO 2) 50 clusters with 10, 20, 30, or 40 water molecules are studied by molecular dynamics method. Flat SiO 2 nanoparticle covered with a water layer is formed after the inclusion of water molecules into the cluster. As a rule, the integral intensity of IR and Raman spectra lowers after the absorption of H 2O molecules by the cluster. The power of IR radiation emitted by the cluster increases nonmonotonically with the addition of water molecules to the cluster. The absorption of water molecules by the cluster leads to a significant increase in the absorption coefficient and only a slight increase in the refractive index. The number of electrons participating in the interaction with electromagnetic radiation increases with the addition of water molecules to the cluster

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