Lowest-order approximations to relaxation volumes of monovacancies in cubic metals from pair potentials and Finnis-Sinclair potentials
Open Access
- 1 June 1986
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine A
- Vol. 53 (6), 783-791
- https://doi.org/10.1080/01418618608245292
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.Keywords
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