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Труды сотрудников Института горного дела УрО РАН
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Труды сотрудников Института теплофизики УрО РАН
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Труды сотрудников ЦНБ УрО РАН
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1.
Инвентарный номер: нет.
   
   О-42

   
    1/f-Noisa under Conditions of Interaction between Phase Transitions [] / V. N. Skokov, A. V. Reshetnikov, V. P. Koverda, A. V. Vinogradov // High Temperature. - 2001. - Vol. 39, N 2. - С. 296-301: il. - Bibliogr.: p. 321 (13 n.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
1/f-NOISE -- PHASE TRANSITIONS

\\\\Expert2\\NBO\\High Temperature\\2001, v.39, p.316.pdf
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2.
Инвентарный номер: нет.
   
   О-42

   
    1/f-Noisa under Conditions of Interaction between Phase Transitions [] / V. N. Skokov, A. V. Reshetnikov, V. P. Koverda, A. V. Vinogradov // High Temperature. - 2001. - Vol. 39, N 2. - С. 296-301: il. - Bibliogr.: p. 321 (13 n.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
1/f-NOISE -- PHASE TRANSITIONS

\\\\Expert2\\NBO\\High Temperature\\2001, v.39, p.316.pdf
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3.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Calculation of spectral characteristics of water clusters upon interaction with oxygen molecules and bromine ions / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol. 72, № 6. - С. 780-787
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR DYNAMICS METHOD -- BROMINE IONS -- CLUSTERS

\\\\Expert2\\NBO\\Colloid Journal\\2010, V.72, N 6, 780.pdf
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4.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Calculation of spectral characteristics of water clusters upon interaction with oxygen molecules and bromine ions / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol. 72, № 6. - С. 780-787
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR DYNAMICS METHOD -- BROMINE IONS -- CLUSTERS

\\\\Expert2\\NBO\\Colloid Journal\\2010, V.72, N 6, 780.pdf
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5.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computational study of interaction of bromine ions with clusters (O2)6(H2O)50 and (O3)6(H2O)50 [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // High Temperature. - 2011. - Vol.49, №4. - P528-538
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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6.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computational study of interaction of bromine ions with clusters (O2)6(H2O)50 and (O3)6(H2O)50 [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // High Temperature. - 2011. - Vol.49, №4. - P528-538
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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7.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer simulation of the cluster destruction of stratospheric ozone by bromine [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Chinese Physics B . - 2012. - Vol. 21, №11. - P113602
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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8.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer simulation of the cluster destruction of stratospheric ozone by bromine [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Chinese Physics B . - 2012. - Vol. 21, №11. - P113602
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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9.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer study of the effects of ozone absorption by an ultradisperse aqueous medium [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Journal of Engineering Physics and Thermophysics. - 2011. - Vol.84, №6. - P1231-1241
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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10.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer study of the effects of ozone absorption by an ultradisperse aqueous medium [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Journal of Engineering Physics and Thermophysics. - 2011. - Vol.84, №6. - P1231-1241
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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11.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer-assisted study of characteristics of water clusters in the presence of nitrogen dioxide [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol.72, №4. - P478-485
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
HEAT EMISSION -- HETEROCLUSTERS -- IR ABSORPTION
Аннотация: The interaction of IR radiation with water clusters that have absorbed NO 2 molecules is studied by the molecular dynamics method in terms of the polarizable model. Induced dipole moments of H 2O and NO 2 molecules diminish during the addition of one to six NO 2 molecules to (H 2O) 50 cluster. The integral intensity of IR absorption by a system consisting of (NO 2) i(H 2O) 50 heteroclusters with 1 ≤ i ≤ 6 decreases, whereas the power of heat emission rises as compared with an (H 2O) n system. The decrease in the IR absorption and the increase in the IR emission by water clusters with the capture of NO 2 molecules are nonmonotonic. The absorption of NO 2 molecules by water clusters causes a noticeable reduction in the intensity of the first peak and the confluence of the fourth and fifth peaks in the Raman spectrum

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12.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer-assisted study of characteristics of water clusters in the presence of nitrogen dioxide [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol.72, №4. - P478-485
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
HEAT EMISSION -- HETEROCLUSTERS -- IR ABSORPTION
Аннотация: The interaction of IR radiation with water clusters that have absorbed NO 2 molecules is studied by the molecular dynamics method in terms of the polarizable model. Induced dipole moments of H 2O and NO 2 molecules diminish during the addition of one to six NO 2 molecules to (H 2O) 50 cluster. The integral intensity of IR absorption by a system consisting of (NO 2) i(H 2O) 50 heteroclusters with 1 ≤ i ≤ 6 decreases, whereas the power of heat emission rises as compared with an (H 2O) n system. The decrease in the IR absorption and the increase in the IR emission by water clusters with the capture of NO 2 molecules are nonmonotonic. The absorption of NO 2 molecules by water clusters causes a noticeable reduction in the intensity of the first peak and the confluence of the fourth and fifth peaks in the Raman spectrum

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13.
Инвентарный номер: нет.
   
   K 75

    Korochkova, E. A.
    Effect of long-range interactions on the surface tension / E. A. Korochkova, G. Sh. Boltachev, V. G. Baidakov // Russian Journal of Physical Chemistry. - 2006. - Vol.80, №3. - С. 445-448
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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14.
Инвентарный номер: нет.
   
   K 75

    Korochkova, E. A.
    Effect of long-range interactions on the surface tension / E. A. Korochkova, G. Sh. Boltachev, V. G. Baidakov // Russian Journal of Physical Chemistry. - 2006. - Vol.80, №3. - С. 445-448
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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15.
Инвентарный номер: нет.
   
   S 89

    Vshivkov, S. A.
    Effect of molecular dimensions of components on phase transitions in solutions of oligomeric polyethers / S. A. Vshivkov, M. Z. Faizullin // Polymer Science. Series A. - 2009. - Vol.51, №9. - С. 974-978
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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16.
Инвентарный номер: нет.
   
   S 89

    Vshivkov, S. A.
    Effect of molecular dimensions of components on phase transitions in solutions of oligomeric polyethers / S. A. Vshivkov, M. Z. Faizullin // Polymer Science. Series A. - 2009. - Vol.51, №9. - С. 974-978
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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17.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Effect of the cut-off radius of the intermolecular potential on phase equilibrium and surface tension in Lennard–Jones systems / V. G. Baidakov, G. G. Chernykh, S. P. Protsenko // Chemical Physics Letters. - 2000. - Vol.321, №3-4. - С. 315-320
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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18.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Effect of the cut-off radius of the intermolecular potential on phase equilibrium and surface tension in Lennard–Jones systems / V. G. Baidakov, G. G. Chernykh, S. P. Protsenko // Chemical Physics Letters. - 2000. - Vol.321, №3-4. - С. 315-320
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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19.
Инвентарный номер: нет.
   
   K 79

    Koverda, V. P.
    Entropy maximum in a nonlinear system with the 1/f fluctuation spectrum [Электронный ресурс] / V. P. Koverda, V. N. Skokov // Technical Physics. - 2011. - Vol.56, №11. - P1539-1545
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
FLUCTUATIONS -- 1/f SPECTRUM -- GIBBS-SHANNON INFORMATIONAL ENTROPY
Аннотация: Analysis of the control and subordination is carried out for the system of nonlinear stochastic equations describing fluctuations with the 1/f spectrum and with the interaction of nonequilibrium phase transitions. It is shown that the control equation of the system has a distribution function that decreases upon an increase in the argument in the same way as the Gaussian distribution function. Therefore, this function can be used for determining the Gibbs-Shannon informational entropy. The local maximum of this entropy is determined, which corresponds to tuning of the stochastic equations to criticality and indicates the stability of fluctuations with the 1/f spectrum. The values of parameter q appearing in the definition of these entropies are determined from the condition that the coordinates of the Gibbs-Shannon entropy maximum coincide with the coordinates of the Tsallis entropy maximum and the Renyi entropy maximum for distribution functions with a power dependence

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20.
Инвентарный номер: нет.
   
   K 79

    Koverda, V. P.
    Entropy maximum in a nonlinear system with the 1/f fluctuation spectrum [Электронный ресурс] / V. P. Koverda, V. N. Skokov // Technical Physics. - 2011. - Vol.56, №11. - P1539-1545
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
FLUCTUATIONS -- 1/f SPECTRUM -- GIBBS-SHANNON INFORMATIONAL ENTROPY
Аннотация: Analysis of the control and subordination is carried out for the system of nonlinear stochastic equations describing fluctuations with the 1/f spectrum and with the interaction of nonequilibrium phase transitions. It is shown that the control equation of the system has a distribution function that decreases upon an increase in the argument in the same way as the Gaussian distribution function. Therefore, this function can be used for determining the Gibbs-Shannon informational entropy. The local maximum of this entropy is determined, which corresponds to tuning of the stochastic equations to criticality and indicates the stability of fluctuations with the 1/f spectrum. The values of parameter q appearing in the definition of these entropies are determined from the condition that the coordinates of the Gibbs-Shannon entropy maximum coincide with the coordinates of the Tsallis entropy maximum and the Renyi entropy maximum for distribution functions with a power dependence

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