Lowest-order approximations to relaxation volumes of monovacancies in cubic metals from pair potentials and Finnis-Sinclair potentials

Abstract

Relaxation volumes of point defects in cubic metals can be conveniently estimated by differentiating approximate formation energies with respect to the lattice constant. Lowest-order analytical expressions for monovacancies have been derived for equilibrium pair potentials and for the N-body potentials of Finnis and Sinclair (1984). These expressions may be evaluated with little effort and prove far superior to other lowest-order approximations to vacancy relaxation volumes.