Molecular-statistical description of the specific heat of crystals with thermal vacancies. 2. numerical calculations of the contribution of the vacancy subsystem to the lattice specific heat of crystals

Abstract

The earlier proposed single statistical model of a condensed molecular system with pairwise interaction of molecules described by the intermolecular Lennard-Jones potential has been applied. In using an analytical expression for the addition to the vibrational specific heat of a perfect crystal, in which the presence of thermal vacancies under real conditions is taken into account, numerical calculations have been carried out and an analysis of the results obtained has been made.