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Computer Simulation of Defect Properties and Processes at High Temperature

Published online by Cambridge University Press:  28 February 2011

J. H. Harding
J. H. Harding*
Affiliation:
Theoretical Physics Division, AERE Harwell, Didcot, Oxon OX11 ORA, England
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Abstract

We show how the entropies of formation and migration of point defects may be calculated accurately. The approximations inherent within static lattice calculations are assessed, in particular the Vineyard reaction rate theory.

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