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Calculation of correlation factors by a modified Bardeen-Herring simulation method

Authors
Journal
Journal of Physics and Chemistry of Solids
0022-3697
Publisher
Elsevier
Publication Date
Volume
43
Issue
3
Identifiers
DOI: 10.1016/0022-3697(82)90178-0

Abstract

Abstract This paper presents the application of a recently described modified Bardeen-Herring simulation method for the calculation of correlation factors. For self diffusion via vacancy—and indirect interstitial mechanism the programs are tested for simple cases. Correlation effects in silica lattices are treated. Comparisons are made with Monte-Carlo simulations. The main advantage of the treatment is its simple applicability for calculations in complex lattices.

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