Vacancy formation and migration energies in strained crystals

Matthai, Clarence Cherian and Bacon, D.J. 1983. Vacancy formation and migration energies in strained crystals. Journal of Nuclear Materials 114 (1) , pp. 22-29. 10.1016/0022-3115(83)90068-5

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Abstract

The formation and migration energies of vacancies in crystals under hydrostatic strain are considered in model fee and bcc crystals using the technique of computer simulation. Equilibrium and non-equilibrium interatomic potentials have been employed for iron, molybdenum, copper and nickel. In the case of Ni, a simple density-dependence of the potential has also been incorporated. Significant differences between the potential forms and crystal structures are reported. For the purpose of comparison, Mukherjee's empirical relation between the formation energy and Debye temperature is exploited to obtain the variation of this energy with lattice parameter. By way of contrast, the effect of the vacancy migration energy of a neighbouring vacancy is also considered in the model crystals

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Physics and Astronomy
Subjects:	Q Science > QC Physics
Publisher:	Elsevier
ISSN:	00223115
Last Modified:	04 Jun 2017 06:50
URI:	https://orca.cardiff.ac.uk/id/eprint/65189

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