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1.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Mechanical instability and nucleation in a Lennard-Jones fcc crystal at limiting stretching [Electronic resource] / V. G. Baidakov, A. O. Tipeev // Chemical Physics Letters. - 2016. - Vol. 643. - С. 6-9. - Bibliogr. : p. 8-9 (38 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ACTIVATION MECHANISMS -- CRITICAL NUCLEI -- CRYSTAL PHASE
Аннотация: The method of molecular dynamics simulation has been used to investigate the mechanism of phase decay of a Lennard-Jones fcc crystal close to the boundary of a'ideal strength'. The attainability of states where the isothermal bulk modulus KT = ρ(∂p/∂ρ)T = 0 and KT < 0 has been demonstrated at negative pressures. It has been shown that the decay of the crystal phase proceeds by different activation mechanisms: (i) by the formation of voids at temperatures below that of the endpoint of the melting line and (ii) by liquid-phase critical nuclei formation above this temperature

\\\\expert2\\nbo\\Chemical Physics Letters\\2016, v. 643, p. 6-9.pdf
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2.
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   B 16

    Baidakov, V. G.
    Mechanical instability and nucleation in a Lennard-Jones fcc crystal at limiting stretching [Electronic resource] / V. G. Baidakov, A. O. Tipeev // Chemical Physics Letters. - 2016. - Vol. 643. - С. 6-9. - Bibliogr. : p. 8-9 (38 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ACTIVATION MECHANISMS -- CRITICAL NUCLEI -- CRYSTAL PHASE
Аннотация: The method of molecular dynamics simulation has been used to investigate the mechanism of phase decay of a Lennard-Jones fcc crystal close to the boundary of a'ideal strength'. The attainability of states where the isothermal bulk modulus KT = ρ(∂p/∂ρ)T = 0 and KT < 0 has been demonstrated at negative pressures. It has been shown that the decay of the crystal phase proceeds by different activation mechanisms: (i) by the formation of voids at temperatures below that of the endpoint of the melting line and (ii) by liquid-phase critical nuclei formation above this temperature

\\\\expert2\\nbo\\Chemical Physics Letters\\2016, v. 643, p. 6-9.pdf
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3.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Nucleation of liquid droplets and voids in a stretched Lennard-Jones fcc crystal [Electronic resource] / V. G. Baidakov, A. O. Tipeev // Journal of Chemical Physics. - 2015. - Vol. 143, № 12. - С. 124501/1-124501/11
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR DYNAMICS SIMULATION -- METASTABLE LENNARD-JONES
Аннотация: The method of molecular dynamics simulation has been used to investigate the phase decay of a metastable Lennard-Jones face-centered cubic crystal at positive and negative pressures. It is shown that at high degrees of metastability, crystal decay proceeds through the spontaneous formation and growth of new-phase nuclei. It has been found that there exists a certain boundary temperature. Below this temperature, the crystal phase disintegrates as the result of formation of voids, and above, as a result of formation of liquid droplets. The boundary temperature corresponds to the temperature of cessation of a crystal–liquid phase equilibrium when the melting line comes in contact with the spinodal of the stretched liquid. The results of the simulations are interpreted in the framework of classical nucleation theory. The thermodynamics of phase transitions in solids has been examined with allowance for the elastic energy of stresses arising owing to the difference in the densities of the initial and the forming phases. As a result of the action of elastic forces, at negative pressures, the boundary of the limiting superheating (stretching) of a crystal approaches the spinodal, on which the isothermal bulk modulus of dilatation becomes equal to zero. At the boundary of the limiting superheating (stretching), the shape of liquid droplets and voids is close to the spherical one

\\\\expert2\\nbo\\Journal of Chemical Physics\\2015, v.143, p.124501.pdf
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4.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Nucleation in ethane–nitrogen solutions. II. Heterogeneous and initiated nucleation [Electronic resource] / V. G. Baidakov, A. S. Pankov // International Journal of Heat and Mass Transfer. - 2015. - Vol. 86. - С. 936-942. - Bibliogr. : p. 942 (18 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
NUCLEATION -- METHOD OF CONTINUOUS PRESSURE LOWERING -- HETEROGENEOUS NUCLEATION -- SUPERHEATING
Аннотация: The method of continuous pressure decrease has been used to investigate limiting (attainable) stretches of ethane–nitrogen solutions. Experiments were conducted at temperatures of 260, 266, 270, and 276 K and at nitrogen concentrations in the solution of 0.5 and 1.5 mol%. Pressure decrease rates were taken in the range 0.01–0.1 MPa/s. Distribution functions of liquid boiling-up events in dependence on pressure have been obtained allowing one to determine the most probable (attainable) pressures of liquid boiling-up and the nucleation rate. The results are interpreted in terms of nucleation thermodynamics and kinetics in liquids on a solid surface containing inclusions that initiate the boiling-up processes. It is shown that for realizing homogeneous nucleation it is not necessarily required that the wettability is close to the ideal one. The reasons for the discrepancy between experimental data and predictions of homogeneous nucleation theory at nucleation rates J < 3 × 106 s−1 m−3 are discussed.

\\\\expert2\\nbo\\International Journal of Heat and Mass Transfer\\2015, v. 86, p.936-942.pdf
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5.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Nucleation of liquid droplets and voids in a stretched Lennard-Jones fcc crystal [Electronic resource] / V. G. Baidakov, A. O. Tipeev // Journal of Chemical Physics. - 2015. - Vol. 143, № 12. - С. 124501/1-124501/11
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR DYNAMICS SIMULATION -- METASTABLE LENNARD-JONES
Аннотация: The method of molecular dynamics simulation has been used to investigate the phase decay of a metastable Lennard-Jones face-centered cubic crystal at positive and negative pressures. It is shown that at high degrees of metastability, crystal decay proceeds through the spontaneous formation and growth of new-phase nuclei. It has been found that there exists a certain boundary temperature. Below this temperature, the crystal phase disintegrates as the result of formation of voids, and above, as a result of formation of liquid droplets. The boundary temperature corresponds to the temperature of cessation of a crystal–liquid phase equilibrium when the melting line comes in contact with the spinodal of the stretched liquid. The results of the simulations are interpreted in the framework of classical nucleation theory. The thermodynamics of phase transitions in solids has been examined with allowance for the elastic energy of stresses arising owing to the difference in the densities of the initial and the forming phases. As a result of the action of elastic forces, at negative pressures, the boundary of the limiting superheating (stretching) of a crystal approaches the spinodal, on which the isothermal bulk modulus of dilatation becomes equal to zero. At the boundary of the limiting superheating (stretching), the shape of liquid droplets and voids is close to the spherical one

\\\\expert2\\nbo\\Journal of Chemical Physics\\2015, v.143, p.124501.pdf
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6.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Nucleation in ethane–nitrogen solutions. II. Heterogeneous and initiated nucleation [Electronic resource] / V. G. Baidakov, A. S. Pankov // International Journal of Heat and Mass Transfer. - 2015. - Vol. 86. - С. 936-942. - Bibliogr. : p. 942 (18 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
NUCLEATION -- METHOD OF CONTINUOUS PRESSURE LOWERING -- HETEROGENEOUS NUCLEATION -- SUPERHEATING
Аннотация: The method of continuous pressure decrease has been used to investigate limiting (attainable) stretches of ethane–nitrogen solutions. Experiments were conducted at temperatures of 260, 266, 270, and 276 K and at nitrogen concentrations in the solution of 0.5 and 1.5 mol%. Pressure decrease rates were taken in the range 0.01–0.1 MPa/s. Distribution functions of liquid boiling-up events in dependence on pressure have been obtained allowing one to determine the most probable (attainable) pressures of liquid boiling-up and the nucleation rate. The results are interpreted in terms of nucleation thermodynamics and kinetics in liquids on a solid surface containing inclusions that initiate the boiling-up processes. It is shown that for realizing homogeneous nucleation it is not necessarily required that the wettability is close to the ideal one. The reasons for the discrepancy between experimental data and predictions of homogeneous nucleation theory at nucleation rates J < 3 × 106 s−1 m−3 are discussed.

\\\\expert2\\nbo\\International Journal of Heat and Mass Transfer\\2015, v. 86, p.936-942.pdf
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7.
Инвентарный номер: нет.
   
   N 64

    Nikitin, E. D.
    Critical properties of some aliphatic symmetrical ethers [Electronic resource] / E. D. Nikitin, A. P. Popov, N. S. Bogatishcheva // Journal of Chemical Thermodynamics. - 2014. - Vol.68. - С. 288-292. - Bibliogr. : p. 292 (30 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRITICAL PROPERTIES -- GROUP-CONTRIBUTION METHOD -- ETHERS
Аннотация: The critical temperatures Tc and the critical pressures p c of dihexyl, dioctyl, and didecyl ethers have been measured. According to the measurements, the coordinates of the critical points are T c = (665 ± 7) K, pc = (1.44 ± 0.04) MPa for dihexyl ether, Tc = (723 ± 7) K, pc = (1.19 ± 0.04) MPa for dioctyl ether, and Tc = (768 ± 8) K, pc = (1.03 ± 0.03) MPa for didecyl ether. All the ethers studied degrade chemically at near-critical temperatures. A pulse-heating method applicable to measuring the critical properties of thermally unstable compounds has been used. The times from the beginning of a heating pulse to the moment of reaching the critical temperature were from 0.06 to 0.46 ms. The short residence times provide little decomposition of the substances in the course of the experiments. The critical properties of the ethers investigated in this work have been discussed together with those of methyl to butyl ethers. The experimental critical constants of the ethers have been compared with those estimated by the group-contribution methods of Wilson and Jasperson and Marrero and Gani. The Wilson/Jasperson method provides a better estimation of the critical temperatures and pressures of simple aliphatic ethers in comparison with the Marrero/Gani method if reliable normal boiling temperatures are used in the method of Wilson and Jasperson

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8.
Инвентарный номер: нет.
   
   N 64

    Nikitin, E. D.
    Critical properties of some aliphatic symmetrical ethers [Electronic resource] / E. D. Nikitin, A. P. Popov, N. S. Bogatishcheva // Journal of Chemical Thermodynamics. - 2014. - Vol.68. - С. 288-292. - Bibliogr. : p. 292 (30 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CRITICAL PROPERTIES -- GROUP-CONTRIBUTION METHOD -- ETHERS
Аннотация: The critical temperatures Tc and the critical pressures p c of dihexyl, dioctyl, and didecyl ethers have been measured. According to the measurements, the coordinates of the critical points are T c = (665 ± 7) K, pc = (1.44 ± 0.04) MPa for dihexyl ether, Tc = (723 ± 7) K, pc = (1.19 ± 0.04) MPa for dioctyl ether, and Tc = (768 ± 8) K, pc = (1.03 ± 0.03) MPa for didecyl ether. All the ethers studied degrade chemically at near-critical temperatures. A pulse-heating method applicable to measuring the critical properties of thermally unstable compounds has been used. The times from the beginning of a heating pulse to the moment of reaching the critical temperature were from 0.06 to 0.46 ms. The short residence times provide little decomposition of the substances in the course of the experiments. The critical properties of the ethers investigated in this work have been discussed together with those of methyl to butyl ethers. The experimental critical constants of the ethers have been compared with those estimated by the group-contribution methods of Wilson and Jasperson and Marrero and Gani. The Wilson/Jasperson method provides a better estimation of the critical temperatures and pressures of simple aliphatic ethers in comparison with the Marrero/Gani method if reliable normal boiling temperatures are used in the method of Wilson and Jasperson

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9.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Spontaneous cavitation in a Lennard-Jones liquid at negative pressures [Electronic resource] / V. G. Baidakov, K. S. Bobrov // Journal of Chemical Physics. - 2014. - Vol.140, №18. - С. 184506. - Bibliogr. : p. 184506 (65 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR DYNAMICS -- LENNARD-JONES LIQUID -- NEGATIVE PRESSURES
Аннотация: We report a molecular dynamics (MD) study of homogeneous bubble nucleation in a Lennard-Jones liquid under a negative pressure (cavitation). The rate of bubble nucleation has been determined in the range 2×10- 9
\\\\expert2\\nbo\\Journal of Chemical Physics\\2014, v.140, p.184506.pdf
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10.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Spontaneous cavitation in a Lennard-Jones liquid at negative pressures [Electronic resource] / V. G. Baidakov, K. S. Bobrov // Journal of Chemical Physics. - 2014. - Vol.140, №18. - С. 184506. - Bibliogr. : p. 184506 (65 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR DYNAMICS -- LENNARD-JONES LIQUID -- NEGATIVE PRESSURES
Аннотация: We report a molecular dynamics (MD) study of homogeneous bubble nucleation in a Lennard-Jones liquid under a negative pressure (cavitation). The rate of bubble nucleation has been determined in the range 2×10- 9
\\\\expert2\\nbo\\Journal of Chemical Physics\\2014, v.140, p.184506.pdf
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