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1.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    The isochoric heat capacity of a metastable Lennard-Jones fluid [Electronic resource] / V. G. Baidakov, S. P. Protsenko, Z. R. Kozlova // Chemical Physics Letters. - 2007. - Vol. 447, № 4-6. - P236-240
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LENNARD-JONES FLUID
Аннотация: The article presents the results of molecular-dynamics calculations of the isochoric heat capacity, cv, and the (p, ?, T) – properties of the Lennard-Jones fluid in the region of liquid–gas phase transition in stable and metastable states. The system under investigation contains 2048 particles, the cut-off radius of the potential is chosen equal to 6.78?. The results of computations of the (p, ?, T) – properties have been used to approximate the location of the spinodal. Values of cv have been determined along the gas and the liquid branches of the spinodal. A thermodynamic relation that determines the value of cv on the spinodal in terms of derivatives with respect to temperature of the entropy, pressure and specific volume along the spinodal has been obtained. It is shown that molecular-dynamics data are in agreement with the results of the thermodynamic analysis.????

\\\\Expert2\\NBO\\Chemical Physics Letters\\2007, v. 447, p.236.pdf
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2.
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   S 34

    Schmelzer, J. W. P.
    Classical and generalized Gibbs' approaches and the work of critical cluster formation in nucleation theory [Electronic resource] / J. W. P. Schmelzer, G. Sh. Boltachev, V. G. Baidakov // Journal of Chemical Physics. - 2006. - Vol. 124, № 19. - P194503/1-194503/18
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CLUSTERS
Аннотация: In the theoretical interpretation of the kinetics of first-order phase transitions, thermodynamic concepts developed long ago by Gibbs are widely employed giving some basic qualitative insights into these processes. However, from a quantitative point of view, the results of such analysis, based on the classical Gibbs approach and involving in addition the capillarity approximation, are often not satisfactory. Some progress can be reached here by the van der Waals and more advanced density functional methods of description of thermodynamically heterogeneous systems having, however, its limitations in application to the interpretation of experimental data as well. Moreover, both mentioned theories—Gibbs’ and density functional approaches—lead to partly contradicting each other’s results. As shown in preceding papers, by generalizing Gibbs’ approach, existing deficiencies and internal contradictions of these two well-established theories can be removed and a new generally applicable tool for the interpretation of phase formation processes can be developed. In the present analysis, a comparative analysis of the basic assumptions and predictions of the classical and the generalized Gibbs approaches is given. It is shown, in particular, that—interpreted in terms of the generalized Gibbs approach—the critical cluster as determined via the classical Gibbs approach corresponds not to a saddle but to a ridge point of the appropriate thermodynamic potential hypersurface. By this reason, the classical Gibbs approach (involving the classical capillarity approximation) overestimates as a rule the work of critical cluster formation in nucleation theory and, in general, considerably.

\\\\Expert2\\NBO\\Journal of Chemical Physics\\2006, v.124, p.194503.pdf
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3.
Инвентарный номер: нет.
   
   B 74

    Boltachev, G. Sh.
    Space charge influence on the angle of conical spikes developing on a liquid-metal anode [Electronic resource] / G. Sh. Boltachev, N. M. Zubarev, O. V. Zubareva // Physical Review E: Statistical, Nonlinear, and Soft Matter Physics. - 2008. - Vol. 77, № 5-2. - P056607/1-056607/10
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ARGON
Аннотация: The influence of the space charge of ions emitted from the surface of a conical spike on its shape has been studied. The problem of the calculation of the spatial distributions of the electric field, ion velocity field, and the space charge density near the cone tip has been reduced to the analysis of a system of ordinary differential equations. As a result of numerical solution of these equations, the criterion for the balance of the capillary and electrostatic forces on the conic surface of a liquid-metal anode has been determined. It has allowed us to relate the electrical current flowing through the system, the applied potential difference, and the cone angle. We have compared the results of our calculations with available experimental data concerning emission from the surface of pure liquid gallium, indium, tin, and some liquid alloys, such as Au+Si, Co+Ge, and Au+Ge. On the basis of the proposed model, explanations have been given for a number of specific features of the emissive behavior of different systems.

\\\\Expert2\\NBO\\Physical Review E\\2008, v.77, N 5, p.056607.pdf
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4.
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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5.
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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6.
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   A 53

   
    Analysis of the kinetic properties of Nickel-Cobalt alloys at high temperatures [Текст] / O. V. Sadyreva, I. G. Korshunov, Yu. V. Glagoleva, S. G. Taluts, V. F. Polev, V. I. Gorbatov // Fizika Metallov i Metallovedenie. - 2004. - Vol. 98, № 6. - С. 29-32
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
KINETIC PROPERTIES

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7.
Инвентарный номер: нет.
   
   F 17

    Faizullin, M. Z.
    Estimation of the stability limit of metallic crystals under conditions of isothermal stretching [Текст] / M. Z. Faizullin, V. P. Skripov // High Temperature. - 2007. - Vol. 45, № 6. - С. 803-806
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
METALLIC CRYSTALS
Аннотация: Based on the results of analysis of behavior of the thermodynamic properties of metals, a semiempirical method is suggested for calculating the limit of thermodynamic stability of crystalline state under conditions of isothermal stretching. The pressure and volume on the spinodal at temperatures of 0 and 300 K are estimated for a group of metals, and the stability limit of lead is calculated in the temperature range from 0 K to the melting point. The correlation between limiting pressures on the melting line and on the spinodal of crystal at T > 0 is revealed.

\\\\Expert2\\NBO\\High Temperature\\2007, v.45, p.803.pdf
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8.
Инвентарный номер: нет.
   
   F 17

    Faizullin, M. Z.
    Thermodynamic Similarity of Phase-Separation Binary-Solutions with a Lower Critical-Temperature [] / M. Z. Faizullin, V. P. Skripov // Zeitschrift fur Physikalische Chemie-International Journal of Research in Physical Chemistry and Chemical Physics. - 1991. - V.173, Pn.1. - С. 53-62
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
AQUEOUS SOLUTIONS -- PHASE-SEPARATIONS -- DOUBLE CRITICAL POINT -- THERMODYNAMIC SIMILARITY
Аннотация: The thermodynamic similarity of phase-separating binary aqueous solutions with a lower critical solution temperature is discussed. The values of temperature and pressure at the double critical point are used as scales. An analysis of the experimental material on the phase-separation of aqueous solutions of organic compounds has discovered correlations between dimensionless thermodynamic complexes that make it a solution by the data on phase-separation at atmospheric pressure. The proposed algorithm of calculation is verified by the example of the mixture water/2,6-dimethylpyridine. The calculated and the experimental data for the LCP of this solution demonstrate a satisfactory agreement

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9.
Инвентарный номер: нет.
   
   B 93

    Bulanov, N. V.
    A method of explosive effervescence of disperse-phase droplets for analysis of emulsions [] / N. V. Bulanov, V. A. Khmylnin // Industrial Laboratory. - 1994. - V.60, Is.10. - С. 599-602
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
EFFERVESCENCE EXPLOSIVE -- DISPERSE-PHASE DROPLETS -- EMULSIONS
Аннотация: A method and an experimental setup for dispersion analysis of emulsions based on overheating and explosive effervescence of disperse-phase droplets are described. Formulas are derived and a procedure for determining the fitting parameters for a description of the dispersive composition of an emulsion is given. The maximum count rate was about 500 droplets per second for droplet diameters ranging from 5 to 200 mu m. The method can be automated to handle high-viscosity, opaque, unstable, and heavily contaminated emulsions

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10.
Инвентарный номер: нет.
   
   B 93

    Bulanov, N. V.
    An Analysis of the Heat Flux Density under Conditions of Boiling Internal Phase of Emulsion [] / N. V. Bulanov // High Temperature. - 2001. - V. 39, N 3. - С. 462-469: il. - Bibliogr: p. 502 (10 n.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
HEAT FLUX DENSITY -- BOILING -- BOILING INTERNAL PHASE -- EMULSIONS

\\\\Expert2\\NBO\\High Temperature\\2001, v.39, p.462.pdf
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