Центральная Научная Библиотека УрО РАН

Вид документа : Статья из журнала
Шифр издания : 53/Г 15
Автор(ы) : Галашев А. Е., Рахманова О. Р., Чуканов В. Н.
Заглавие : Поглощение и рассеяние инфракрасного излучения атмосферными кластерами воды
Параллельн. заглавия :Absorption and dissipation of infrared radiation by atmospheric water clusters
Место публикации : Журнал физической химии. - 2005. - Т. 79, N 9. - С. 1455-1459. - ISSN 0044-4537. - ISSN 0044-4537
Примечания : Библиогр: с. 1648 (33 назв.)
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): инфракрасное излучение--атмосферные кластеры воды--излучение инфракрасное--поглощение--рассеяние
Аннотация: Методом молекулярной динамики рассчитаны частотные спектры диэлектрической проницаемости кластеров воды, спектры поглощения ИК-излучения водными агрегатами, содержащими от 5 до 90 молекул. Определено частотное распределение разности фаз векторов электрической индукции(D) и электрического поля (E) и диэлектрических потерь в кластерах. Установлены размерные зависимости экстремальной частоты поглощения ИК-излучения и максимального коэффициента поглощения кластеров.
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Вид документа : Статья из журнала
Шифр издания : 53/М 75
Автор(ы) : Галашев А. Е., Чуканов В. Н., Новрузов А. Н., Новрузова О. А.
Заглавие : Молекулярно-динамический расчет спектральных характеристик поглощения инфракрасного излучения кластерами (H2O)j и (CH4)i(H2O)n
Параллельн. заглавия :Molecular-dynamic calculation of spectral characteristics of absorption of infrared radiation by (H2O)j and (CH4)i(H2O)n clusters
Место публикации : Теплофизика высоких температур. - 2006. - Т. 44, № 3. - С. 370-377
УДК : 53
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): молекулярно-динамические расчеты--абсорбция молекул метана--кластеры (ch4)i(h2o)n
Аннотация: Методом молекулярной динамики исследована устойчивость и физический свойства кластеров (CH4)i(H2O)n. Показана возможность абсорбции молекул метана кластерами, содержащими 10 и 20 молекул воды. Такие кластеры сохраняют термодинамическую устойчивость, когда число абсорбированных ими молекул CH4 не больше шести. Частотная дисперсия комплексной диэлектрической проницаемости агрегатов (CH4)i(H2O)n отражает резонансное поведение поляризуемости в зависимости от приложенного электрического поля. Зависимость коэффициента поглощения альфа от частоты ИК-излучения существенно изменяется после абсорбции кластерами воды уже одной молекулы CH4. Максимальное значение величины альфа для водных агрегатов, абсорбировавших молекулы CH4, существенно ниже, чем аналогичная величина для кластеров чистой воды соответствующего размера.
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Вид документа : Статья из журнала
Шифр издания : 53/N 89
Автор(ы) : Novruzov A. N., Rakhmanova O. R., Galashev A. E.
Заглавие : Computer study of the absorption of ethane by aqueous ultradispersed medium: IR spectra
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2008. - Vol. 70, № 1. - С. 55-63
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): ir spectra
Аннотация: Absorption of ethane molecules by water clusters containing 10–20 molecules is studied by the molecular dynamics method. The (H2O) n (I), C2H6(H2O) n (II), and (C2H6)2(H2O) n (III) cluster systems are composed on the basis of specific statistical weights. Spectral characteristics of system and single clusters are determined in the frequency range of 0 меньше либо равно омега меньше либо равно 1000 cm в степени -1. In this frequency range, both real and imaginary parts of dielectric permittivity decrease monotonically after the absorption of C2H6 molecules by an aqueous ultradispersed system. Integral coefficient of IR absorption increases, while average (over frequency) reflection coefficient decreases after the absorption of ethane molecules. The intensity of IR scattering by the systems of clusters containing C2H6 molecules lowers. Maximal values of radiation power for water clusters with various sizes are balanced with the capture of ethane molecules by the clusters, whereas oscillations in the size dependence of the density of electrons that are active with respect to IR radiation decrease.
\\\\Expert2\\NBO\\Colloid Journal\\2008, V.70, N 1, 55.pdf
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Вид документа : Статья из журнала
Шифр издания : 53/N 89
Автор(ы) : Novruzova O. A., Galashev A. E.
Заглавие : Numerical simulation of IR absorption, reflection, and scattering in dispersed water-oxygen media
Место публикации : High Temperature. - 2008. - Vol. 46, № 1. - С. 60-68
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): ir absorption
Аннотация: The method of molecular dynamics along with the flexible model of molecules are used to study the spectral characteristics of systems of clusters of (H2O) n , (O2) m (H2O) n , and (O) i (H2O) n , m меньше либо равно 2, i меньше либо равно 4, 10 меньше либо равно n меньше либо равно 50. It is demonstrated that the integral intensity of absorption of IR radiation decays after water clusters adsorb oxygen. In addition, the adsorption of oxygen causes a significant decrease in the reflection coefficient R of monochromatic IR radiation. In so doing, the R(?) spectrum splits into bands and exhibits seven peaks in the frequency region of 0 меньше либо равно омега меньше либо равно 3500 cm в степени -1. The dissociation of oxygen molecules captured by clusters makes the peaks of R(омега) spectrum more resolved. The attachment of molecular oxygen by clusters leads to decay of the power of their IR radiation, while the capture of atomic oxygen, on the contrary, is accompanied by an increase in the rate of dissipation of energy accumulated by water aggregates.
\\\\Expert2\\NBO\\High Temperature\\2008, v.46, p.60.pdf
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Вид документа : Статья из журнала
Шифр издания : 53/N 89
Автор(ы) : Novruzova O. A., Galasheva A. A., Galashev A. E.
Заглавие : IR spectra of aqueous disperse systems adsorbed atmospheric gases: 1. Nitrogen
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2007. - Vol. 69, № 4. - С. 474-482
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): ir spectra
Аннотация: Spectral characteristics of (H2O) i , N2(H2O) i , and (N2)2(H2O) i cluster systems, where 10 меньше либо равно i меньше либо равно 50, are studied in the 0 меньше либо равно эпсилон меньше либо равно 3500 cm в степени -1 frequency range with the molecular dynamics method on the basis of a flexible molecule model. After nitrogen is captured by an aqueous disperse system, the absorption of the IR radiation by this system increases owing to the enhancement of intramolecular vibrations. In general, the reflection of the outer IR radiation by nitrated aqueous disperse systems is attenuated; however, when the nitrogen concentration increases twofold, there is a tendency toward an increase in the fraction of reflected radiation. As the nitrogen concentration in a system of water clusters rises, the power of radiation emitted by the system increases significantly and the number of electrons interacting with the outer IR radiation decreases.
\\\\Expert2\\NBO\\Colloid Journal\\2007, V.69, N4,474.pdf
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Вид документа : Статья из журнала
Шифр издания : 53/A 10
Автор(ы) : Novruzov A. N., Chukanov V. N., Rakhmanova O. R., Galashev A. E.
Заглавие : A computer study of the absorption of infrared radiation by systems of molecular clusters
Место публикации : High Temperature. - 2006. - Vol. 44, № 6. - С. 932-940
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular clasters
Аннотация: The method of molecular dynamics is used to investigate the process of absorption of Nsub2/subO and CHsub4/sub molecules by water clusters and to determine the frequency spectra of permittivity for systems consisting of clusters mixed in different ratios, namely, (Hsub2/subO)subn/sub, (Nsub2/subO)subi/sub(Hsub2/subO)sub10/sub, and (CHsub4/sub)subi/sub(Hsub2/subO)sub10/sub. IR-radiation absorption spectra for these systems are calculated and analyzed; the radiation power scattered by these systems and the tangent of dielectric loss angle are determined. The inclusion of anharmonicity of phonon oscillation makes it possible to explain the origin of characteristic frequencies appearing in IR spectra of mixtures of cluster systems. The capture of molecules of greenhouse gases by an ultradisperse aqueous medium affects the ability of this medium to absorb terrestrial radiation, i.e., reduces the greenhouse effect.
\\\\Expert2\\NBO\\High Temperature\\2006, v.44, p.932.pdf
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Вид документа : Статья из журнала
Шифр издания : 53/P 80
Автор(ы) : Efremov V. P., Privalov V. E., Skripov P.V., Charty P. V., Shemanin V. G.
Заглавие : Polymer material laser destruction threshold studies
Место публикации : Proceedings of SPIE-The International Society for Optical Engineering. - 2005. - Vol. 5447: Lasers for Measurements and Information Transfer 2004. - С. 234-241
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): polymer materials
Аннотация: The polymer films are widely used in any industry as the construction materials with some specific properties. It demands the detail studies of the laser destruction threshold parameters of such a materials irradiated by the he power laser radiation pulse with energy density in range from 0 up to 200 J/cm2. The probability of the target laser ablation destruction versus the incident laser radiation energy density dependencies for any polymers -- the high pressure polyethylene, epoxy compound, polymethylmetacrylate, styrosil and rubber for comparing -- have been a subject of the experimental studies. The plots of the breakdown probability and plasma emission intensity for all of the samples versus energy density dependences have been got and the breakdown energy density for these targets have been determined by this probability is equal to 0,5 or zero plasma intensity condition. These results show that about 11% of absorbed laser pulse energy was transferred to the target as the shock wave spreading in it when the target thickness is greater than the distance which this shock wave spreads in the time of laser pulse action. ??
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Вид документа : Статья из журнала
Шифр издания : 53/F 68
Автор(ы) : Reshetnikov A. V., Skripov V. P., Koverda V. P., Mazheiko N. A., Vinogradov A. V.
Заглавие : Flicker-Noise in Superheated Liquid Jets
Место публикации : Heat Transfer Research. - 2004. - Vol. 35, № 1-2. - С. 59-66
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): boiling-up liquid --critical modes --vapor formation
Аннотация: Change of the shape of a boiling-up liquid jet flowing from a high-pressure vessel at high superheatings was investigated experimentally. Mechanisms of volumetric heterogeneous and homogeneous nucleation are distinguished and their connection with critical modes of outflow is determined. Results of the experimental study of recoil of boiling-up liquid jets in a thermodynamically strong nonequilibrium mode of outflow are presented. The dynamics of vapor content fluctuations is studied by a method of photometry of passed laser radiation. Fluctuations of pressure in a superheated liquid jet at various mechanisms of vapor formation are measured by a method of strain metering. It was found that in intense volumetric boiling-up of a superheated liquid jet the power spectrum of fluctuations has a low-frequency component (flicker-noise) which diverges according to the 1/f law. This effect is related to nonequilibrium phase transitions in the system
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Вид документа : Статья из журнала
Шифр издания : 53/S 78
Автор(ы) : Galashev A. E., Rakhmanova O. R., Novruzova O. A., Galasheva A. A.
Заглавие : Spectral characteristics of water clusters upon interaction with oxygen molecules and chlorine ions
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2009. - Vol. 71, № 6. - С. 745-753
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular dynamics method--dielectric permittivity --emitted radiation
\\\\Expert2\\NBO\\Colloid Journal\\2009, V.71, N 6, 745.pdf
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10.

11.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R.
Заглавие : Computer-assisted study of characteristics of water clusters in the presence of nitrogen dioxide
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol. 72, № 4. - С. 478-485
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): ir radiation --water clusters --molecular dynamics method
\\\\Expert2\\NBO\\Colloid Journal\\2010, V.72, N 4, 478.pdf
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12.

Вид документа :
Шифр издания : 53/V 70
Автор(ы) : Vinogradov A. V.
Заглавие : Spectral Characteristics of Fluctuations in Ultrasonic Cavitation of Water and Glycerin
Место публикации : Heat Transfer Research. - 2008. - Vol.39, №6. - С. 519-527
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): fluctuation--acoustic cavitation--glycerin
Аннотация: The results of experimental investigation of the dynamics of fluctuations in acoustic cavitation of water and glycerin are presented. Near the radiator surface the structures in interacting vapor-gas bubbles having the form of fractal clusters were formed. Using the method of photometric scanning of transmitted laser radiation, the dynamics of fluctuations was investigated. In the transient regime the range of the power of fluctuations changed inversely proportional to frequency. The distributions of local fluctuations differ from Gaussian ones and reveal the properties of scale invariance. The qualitative behavior of the frequency dependence of the spectral density of fluctuations on change in the power of an ultrasonic radiator was investigated. It is shown that the raise of the high-frequency boundary of the flicker behavior point to the buildup of instability and may serve as a precursor of possible large-scale overshoots
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13.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R.
Заглавие : Computer simulation of the cluster destruction of stratospheric ozone by bromine
Место публикации : Chinese Physics B . - 2012. - Vol. 21, №11. - С. 113602
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): bromine ions --infrared and raman spectra--water clusters
Аннотация: The interaction of (Br -) iH 2O) 50-i, 0 ≤ i ≤ 6 clusters with oxygen and ozone molecules is investigated by the method of molecular dynamics simulation. The ozone molecules as well as the bromine ions do not leave the cluster during the calculation of 25 ps. The ability of the cluster containing molecular oxygen to absorb the infrared (IR) radiation is reduced in the frequency range of 0 ≤ ω ≤ 3500 cm -1 when the number of the bromine ions in the cluster grows. The intensity of the Raman spectrum is not changed significantly when the Br - ions are added to the ozone-containing system. The power of the emitted IR radiation is increased when the number of bromine ions grows in the oxygen-containing system. The data obtained in this study on the IR and the Raman spectra of the water clusters that contain ozone, oxygen, and Br - can be used to develop an investigation of the mechanisms of ozone depletion
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14.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E.
Заглавие : Physical properties of silver-coated silica clusters: A computer experiment
Место публикации : Journal of Surface Investigation . - 2012. - Vol.6, №4. - С. 623-630
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): electromagnetic fields--molecular dynamics--silica
Аннотация: The effect on the physical properties of a silica cluster after silver coating has been studied by the molecular dynamics method. It has been established that silver atoms make a sphere-like cluster shape, increase mechanical stability and give a stable positive value of the surface tension. They increase the number of electrons able to interact with the electromagnetic field, and, hence, enhance the efficiency of thermal radiation transfer by clusters
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15.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Polukhin V. A.
Заглавие : Computer-assisted study of silver absorption by porous silicon dioxide nanoparticles
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2011. - Vol.73, №6. - С. 761-767
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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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16.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R.
Заглавие : Computer study of the effects of ozone absorption by an ultradisperse aqueous medium
Место публикации : Journal of Engineering Physics and Thermophysics. - 2011. - Vol.84, №6. - С. 1231-1241
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): emission-power spectra--infrared spectra--water clusters
Аннотация: The interaction of ozone molecules with water clusters at a temperature corresponding to the middle zones of the troposphere and the stratosphere has been studied by the molecular-dynamics method. It has been established that the integral intensities of the infrared absorption spectrum and the Raman spectrum of an ultradisperse aqueous system decrease substantially in absorption of ozone by it. It has been shown that in this case the emission power of the IR-radiation energy stored by the entire ozonized disperse aqueous medium grows
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17.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R., Novruzova O. A.
Заглавие : Computational study of interaction of bromine ions with clusters (O2)6(H2O)50 and (O3)6(H2O)50
Место публикации : High Temperature. - 2011. - Vol.49, №4. - С. 528-538
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): flexible molecules--ir spectrum--molecular dynamics
Аннотация: Abstract-Interaction of bromine ions with water clusters that have absorbed the molecules of oxygen and ozone is studied using a molecular-dynamics simulation of flexible molecules. The cases of location of Br-ions on the surface and in the bulk of the cluster are described. Water clusters with ozone molecules remain stable during their interaction with the Br - ions, while oxygen molecules are found to evaporate from the cluster when Br - ions appear in its bulk. In the presence of Br - ions, the infrared spectra of systems with O 3 molecules are observed to be intensified. The intensities of the IR spectra with O 2 molecules may both increase and decrease depending on the arrangement of the Br - ions. The Raman spectra are sensitive to the appearance of Br - ions only for systems that contain oxygen molecules. As a result of interaction with the Br-ions, the power of IR radiation emitted by the clusters can not only increase, but also decrease
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18.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R., Zemnukhova l. A.
Заглавие : Modeling the infrared and raman spectra of silicon dioxide clusters absorbing water
Место публикации : Russian Journal of Physical Chemistry A, Focus on Chemistry. - 2011. - Vol.85, №6. - С. 955-960
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R.
Заглавие : Interaction of chloride ions with water clusters absorbing ozone: A computer experiment
Место публикации : Russian Journal of Physical Chemistry B. - 2011. - Vol. 5, №2. - С. 197-208
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): interaction--the chloride ions--water clusters
Аннотация: The molecular dynamics method is used to investigate the interaction of two, four, and six chloride ions with (H2O)50, clusters absorbing six ozone molecules. Chloride ions moving toward the cluster penetrate into it. The presence of ozone increases the residence time of Cl- ions in the cluster. The duration of the perturbation increases with the number of Cl- ions surrounding 6O3 + (H2O) 50 the system. The interaction with Cl- ions enhances the positional disorder of the molecules in the system and enhances the intensity of absorption and emission of infrared radiation. These changes, however, are not monotonic function of the number of ions perturbing the system. As a result of the interaction with Cl- ions, the integrated intensity of the Raman scattering on (O3)6 (H2O)50 the cluster in the frequency range 0 ≤ ω ≤ 1100 cm-1 is significantly lower and the number of peaks in the spectrum is smaller
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20.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R., Novruzova O. A.
Заглавие : Spectral characteristics of water clusters in the interaction with ozone molecules and bromide ions
Место публикации : Russian Journal of Physical Chemistry B. - 2011. - Vol.5, №3. - С. 450-460
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): bromine ions --infrared spectra--ozone
Аннотация: The molecular dynamics method is used to study the interaction of the (Br -) i(H 2O) 50-i clusters in a medium of water vapor with ozone molecules. The clusters absorb O 3 molecules and retain them, along with Br - ions, for a 25-ps-long calculation procedure. The presence of bromide ions results in significant increases in the values of the real and imaginary parts of the relative permittivity. The addition of bromide ions causes a significant increase in the integrated IR radiation absorption intensities and in the radiant power emitted by the clusters. The addition of Br - ions only slightly affects the intensity of the Raman spectra until the number of Br - reaches six, when a dramatic decrease of the integrated intensity of this spectrum occurs. Bromide ions absorbed by water clusters produce a much more lasting impact on the ozone molecules trapped by the cluster than chlorine ions do, all other things being e
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