Pressure-induced thermodynamic properties of atom-vacancy solid solution.

Abstract

The thermodynamic properties (TP) of atom-vacancy solid solutions are investigated with molecular-dynamics calculations using N-body potentials. For the example of copper we analyze the vacancy concentration dependence of TP in the high-pressure simulations. Calculated pressure-induced TP of atom-vacancy solid solutions in copper prove the necessity of accounting the peculiarities of the crystal structure and potential in the study of vacancy-driven properties of solids. \textcopyright{} 1996 The American Physical Society.