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Journal Dynamics of Complex Systems - XXI century №1 for 2009 г.
Article in number:
THE LIMIT OF THERMODYNAMIC STABILITY OF OVERHEATED CRYSTALS AND MECHANISMS OF ITS LOSS
Keywords:
Authors:
V.I. Zubov
Abstract:
Using the correlation method of non-symmetrized self-consistent field for strongly enharmonic crystals, thermodynamic stability and mechanisms of its loss by crystals with various types of chemical bond are studied. The interaction potentials were the following: the Lennard-Jones pare potential with Axelrod-Teller three-particle potential for simple van der Waals crystals (solid Ar); the effective inter-ion potential proposed by Schiff for metals (Na); and Girifalco potential for fullerenes (C60). It was shown that in the first and in the third cases, the qubic lattice becomes to be unstable due to the fact that the isothermal volume module BT0. For fullerens, the shift coefficient C44 also tends to zero. The solid Na loses its stability while the another shift coefficient CT11 - CT12 tends to zero too.
Pages: 3
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