PRESSURE-INDUCED THERMODYNAMIC PROPERTIES OF ATOM-VACANCY SOLID-SOLUTION

The thermodynamic properties (TP) of atom-vacancy solid solutions are investigated with molecular-dynamics calculations using N-body potenti als, For the example of copper we analyze the vacancy concentration de pendence of TP in the high-pressure simulations. Calculated pressure-i nduced TP of atom-vacancy solid solutions in copper prove the necessit y of accounting the peculiarities of the crystal structure and potenti al in the study of vacancy-driven properties of solids.