Центральная Научная Библиотека УрО РАН

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E.
Заглавие : Stability and Mechanism of disordering of crystals with Lennard-Jones Interaction of particles
Место публикации : Fluid Mechanics - Soviet Research. - 1991. - V. 20, N 1. - С. 123-130
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): стабильность кристаллов--разупорядочение кристаллов--взаимодействие леннард-джонса--леннард-джонсовские взаимодействия--теплофизика
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Вид документа : Статья из журнала
Шифр издания : 53/Г 15
Автор(ы) : Галашев А. Е., Сервида А., Сигон Ф.
Заглавие : Изучение взаимодействия разноименнозаряженных кластеров водных электролитов методом молекулярной динамики
Параллельн. заглавия :Moleculal dynamics study of interaction between opposiely charged clusters of aqueous electrolytes
Место публикации : Электрохимия. - 1997. - Т. 33, N 2. - С. 189-195
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): электролиты водные--водный электролит--кластеры разноименнозаряженные--метод молекулярной динамики--нуклеация гетеромолекулярная--гетеромолекулярная нуклеация--пар водяной--водяной пар--энергия кластеров--кластеров энергия--ионы кластеров--кластеров ионы
Аннотация: Взаимодействие кластеров Na+(H2O)n и Cl-(H2O)n рассматривается как процесс, оказывающий влияние на гетеромолекулярную нуклеацию в водяном паре. В молекулярно-динамической модели прослеживается эволюция системы двух электрически противоположно заряженных кластеров. Исследуется динамика, полная энергия, многочастичные эффекты и структура трех пар взаимодействующих кластеров. Обсуждается возможность стабилизации пары ионов, несущих заряды противоположного знака, в водяном паре
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Вид документа : Статья из журнала
Шифр издания : 53/B 74
Автор(ы) : Boltachev G. Sh., Baidakov V. G.
Заглавие : The Second and Third Virial Coefficients of Simple Fluids
Место публикации : High Temperature. - 2006. - Vol. 44, № 1. - С. 83-90
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): fluid condition
Аннотация: The asymptotic behavior of the second B and third C virial coefficients in the low temperature region is analyzed for fluids with a spherical pair-additive potential of interparticle interaction. The temperature dependences B( T) and C( T) are approximated by expressions which convey correctly the behavior of the virial coefficients in the low-and high-temperature limits. The free parameters of approximation formulas for pure nitrogen, argon, and oxygen are determined. The derived virial equations of state are used to calculate the limit of significant instability of the gas phase in a wide temperature range.
\\\\Expert2\\NBO\\High Temperature\\2006, v.44, p.83.pdf
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Вид документа : Статья из журнала
Шифр издания : 53/D 23
Автор(ы) : Dashevskaya E., Litvin I., Nikitin E. D.
Заглавие : Gyroscopic Effect in Low-Energy Classical Capture of a Rotating Quadrupolar Diatom by an Ion
Место публикации : Journal of Physical Chemistry A. - 2006. - Vol. 110, № 9. - С. 2876-2884
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): gyroscopic effect
Аннотация: The low-energy capture of homonuclear diatoms by ions is due mainly to the long-range part of the interpartner potential with leading terms that correspond to charge?quadrupole interaction and charge-induced dipole interaction. The capture dynamics is described by the perturbed-rotor adiabatic potentials and the Coriolis interaction between manifold of states that belong to a given value of the intrinsic angular momentum. When the latter is large enough, it can noticeably affect the capture cross section calculated in the adiabatic channel approximation due to the gyroscopic property of a rotating diatom. This paper presents the low-energy (low-temperature) state-selected partial and mean capture cross sections (rate coefficients) for the charge?quadrupole interaction that include the gyroscopic effect (decoupling of intrinsic angular momentum from the collision axis), quantum correction for the diatom rotation, and the correction for the charge-induced dipole interaction. These results complement recent studies on the gyroscopic effect in the quantum regime of diatom?ion capture
\\\\Expert2\\NBO\\Journal of Physical Chemistry A\\2006, v.110 p.2876.pdf
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Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V.G., Skripov V.P.
Заглавие : Experimental-study of cryogenic liquids in the metastable superheated state
Место публикации : Experimental Thermal and Fluid Science. - 1992. - V.5, Is.5. - С. 664-678
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): liquid cryogenic--state metastable--state superheated--dependence of temperature--nucleation--p-properties--rho-properties--t-properties--ultrasound velocity
Аннотация: The results of an experimental investigation of cryogenic liquids in a metastable (superheated) state are considered. Data are presented on the maximum attainable superheat temperature of typical cryogenic liquids from atmospheric to close to critical pressures. The nucleation mechanism and the influence of factors that induce boiling on the attainable superheat of liquids are discussed. The results of experiments are compared with theory. Data on the thermodynamic properties (P, rho, T properties, heat capacity, ultrasonic velocity and attenuation, volume viscosity) of cryogenic liquids in a metastable liquids is discussed. Explosive boiling phenomena connected with large superheats of cryogenic liquids are considered, and the discharge of cryogenic liquids through short tubes and the heat interaction of cold liquid droplets with a hot surface are investigated
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Вид документа : Статья из журнала
Шифр издания : 53/О-42
Автор(ы) : Skokov V. N., Reshetnikov A. V., Koverda V. P., Vinogradov A. V.
Заглавие : 1/f-Noisa under Conditions of Interaction between Phase Transitions
Место публикации : High Temperature. - 2001. - Vol. 39, N 2. - С. 296-301: il.
Примечания : Bibliogr.: p. 321 (13 n.)
ББК : 53
Предметные рубрики: ФИЗИКА
\\\\Expert2\\NBO\\High Temperature\\2001, v.39, p.316.pdf
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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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Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R., Novruzova O. A.
Заглавие : Calculation of spectral characteristics of water clusters upon interaction with oxygen molecules and bromine ions
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol. 72, № 6. - С. 780-787
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular dynamics method --bromine ions --clusters
\\\\Expert2\\NBO\\Colloid Journal\\2010, V.72, N 6, 780.pdf
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Вид документа :
Шифр издания : 53/K 75
Автор(ы) : Korochkova E. A., Boltachev G. Sh., Baidakov V. G.
Заглавие : Effect of long-range interactions on the surface tension
Место публикации : Russian Journal of Physical Chemistry. - 2006. - Vol.80, №3. - С. 445-448
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular-dynamics simulation--liquid-vapor interface--capillary waves
Аннотация: The effect of long-range interactions on the surface tension at a liquid-gas interface was considered. An analytical expression for the correction to the surface tension for the cutoff of the particle interaction potential at the distance r(c) was derived based on a step density profile. For the Lennard-Jones fluid, this correction was calculated numerically from the results of computer simulations of the density profiles. It was established that, in the vicinity of the triple point, the correction is as great as similar to 6% at the potential cutoff radius r(c) = 6.78 molecular diameters, a quantity insensitive to the form of the density profile in the interfacial layer
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10.

Вид документа :
Шифр издания : 53/S 89
Автор(ы) : Vshivkov S. A., Faizullin M. Z.
Заглавие : Effect of molecular dimensions of components on phase transitions in solutions of oligomeric polyethers
Место публикации : Polymer Science. Series A. - 2009. - Vol.51, №9. - С. 974-978
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): polymer-solvent interaction--polystyrene--region
Аннотация: The molecular masses and intrinsic viscosities of a series of oligomeric poly(propylene glycols) have been studied by light scattering, analysis of chain ends, viscometry, and the cloud-point method. Phase diagrams are plotted and the Flory-Huggins thermodynamic interaction parameters and the second virial coefficients are calculated for oligomeric poly(propylene glycol)-n-alkane systems. The effects of the molecular dimensions of components on their mutual solubility and positions of boundary curves are determined. UCST decreases with an increase in the size of poly(propylene glycol) macromolecules and increases with an increase in the size of n-alkane mol
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11.

Вид документа :
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Chernykh G. G., Protsenko S.P.
Заглавие : Effect of the cut-off radius of the intermolecular potential on phase equilibrium and surface tension in Lennard–Jones systems
Место публикации : Chemical Physics Letters. - 2000. - Vol.321, №3-4. - С. 315-320
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): molecular-dynamics simulation--liquid-vapor interface--lennard-jones fluid
Аннотация: We present the molecular dynamic simulation results for the liquid–vapour interface of the pure Lennard–Jones fluid. The thermodynamical properties, the surface tension, the effective thickness of interfacial layer and the mean-square amplitude of capillary waves are determined. Calculations have been performed at cut-off radii of the intermolecular potential rc1=2.6σ and rc2=6.78σ. It is shown that the cut-off radius of the interaction potential in the two-phase systems should be chosen to be larger than that in the one-phase systems for an adequate representation of properties
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12.

Вид документа :
Шифр издания : 53/B 74
Автор(ы) : Boltachev G. Sh., Schmelzer J. W. P., Baidakov V. G.
Заглавие : First-order curvature corrections to the surface tension of multicomponent systems
Место публикации : Journal of Colloid and Interface Sience. - 2003. - Vol.264, №1. - С. 228-236
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): surface tension--phase coexistence--multicomponent systems
Аннотация: The dependence of surface tension on curvature is investigated for the case of an equilibrium phase coexistence in multicomponent systems. Employing Gibbs's method of description of heterogeneous systems, an equation is derived to determine the dependence of surface tension on curvature for widely arbitrary paths of variation of the independent thermodynamic parameters. It is supposed hereby merely that the temperature is kept constant and that the variations of the different molar fractions are such that the radius of the dividing surface varies monotonically in dependence on the change of the state parameters of the ambient phase along any of the chosen paths. In the analysis, an approach developed by Blokhuis and Bedeaux for one-component systems is utilized. It relies on the expansion of the surface free energy on curvature of the dividing surface. An equation is derived that connects the first-order correction term in the expansion with the interaction potential of the particles in the multicomponent solution and with the two-particle distribution functions in the planar interfacial layer between the two phases coexisting in equilibrium at planar interfaces. The connection of the first-order curvature correction to the surface tension and the first moment of the pressure tensor at a planar interface is analyzed as well
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13.

Вид документа :
Шифр издания : 53/K 79
Автор(ы) : Koverda V. P., Skokov V. N.
Заглавие : Statistics of fluctuations with a 1/f spectrum at phase transitions in a spatially distributed system
Место публикации : Physica A. - 2011. - Vol. 390, № 13. - С. 2468-2479
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 1/f-noise--first passage time--avalanches
Аннотация: A study has been made on the statistics of fluctuations in a spatially distributed system, which describes the interaction of nonequilibrium phase transitions. It is shown that at a certain intensity of external white noise acting on phase transitions, the time and spatial spectra of fluctuations have power laws S(f)∼f−α and S(k)∼k−γ. The dependence of the exponents α and γ on the value of the diffusion coefficient determining the spatial interaction of fluctuations have been found. Extreme low-frequency fluctuations has been revealed and distribution functions of their duration P(τ)∼τ−β and size P(s)∼s−ν have been determined. It has been found that the exponent α of the frequency dependence of time spectra and the exponent β of the distribution function of the fluctuation duration are related by the relation α+β=2. The exponent of the spatial spectrum γ and the exponent of the size distribution function ν are related by a similar relation: γ+ν=2. The results of experimental studies on fluctuations in a typical nonequilibrium phase transition such as transient modes of water boiling on a wire heater are presented. It was demonstrated that the critical exponents, which describe the power dependence of power spectra of fluctuations and the amplitude distribution of extreme surges, are related by the relation α+β=2 both in experiments and in the theoretical model of interacting heterogeneous phase transitions
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14.

Вид документа :
Шифр издания : 53/S 45
Автор(ы) : Skokov V. N., Reshetnikov A. V., Koverda V. P., Koverda V. P., Vinogradov A. V.
Заглавие : Self-organized criticality and 1/f-noise at interacting nonequilibrium phase transitions
Место публикации : Physica A. - 2001. - Vol.293, № 1-2. - С. 1-12
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): self-organized criticality--1/f fluctuations--power spectra
Аннотация: Oscillatory combustion regimes were experimentally investigated under the conditions of ignitable liquid boiling-up before the reaction front. Fluctuations with a power spectral density inversely proportional to frequency (1/f-noise) were observed and the power-law character of distribution functions was found. The phenomena are connected with the intersection and interaction of nonequilibrium phase transitions. A mathematical model describing the initiation of 1/f fluctuations at the interaction of a subcritical phase transition and supercritical one in a space-distributed system was suggested
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15.

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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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.
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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19.

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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20.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R., Borisikhin A. A.
Заглавие : IR absorption and Raman spectra of silicon dioxide nanoparticles in the presence of water: Computer experiment
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol.72, №6. - С. 771-779
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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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