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.) 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 |