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TVT, 2021 Volume 59, Issue 1, Pages 69–73 (Mi tvt11340)

Thermophysical Properties of Materials

Stability of a crystal at temperatures below the temperature of the end point of the melting line: Molecular dynamics simulation

V. G. Baidakov, S. P. Protsenko

Institute of Thermal Physics, Ural Branch, Russian Academy of Sciences, Ekaterinburg

Abstract: The conditions for the stability of an FCC crystal with respect to infinitesimal and finite changes in the parameters of state at temperatures below the temperature of the end point of the melting line are considered. Modules of simple $\mu$ and tetragonal $\mu'$ shear, bulk $K$, and unilateral K̃ compression of the Lennard-Jones crystal are identified in the process of molecular dynamics simulation. It is shown that the crystal state remains stable against infinitesimal perturbations and at $K \le 0$. Here, as at $K > 0$, the decay of the crystal phase proceeds via spontaneous nucleation and the growth of cavitation cavities.

UDC: 539.424

Received: 11.02.2020
Revised: 22.04.2020
Accepted: 18.06.2020

DOI: 10.31857/S0040364420060046


 English version:
High Temperature, 2021, 59:1, 62–65

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© Steklov Math. Inst. of RAS, 2024