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Computer Simulation of Interfaces in Ceramics

Published online by Cambridge University Press:  10 February 2011

J. H. Harding,
D. J. Harris and
S. C. Parker
J. H. Harding
Affiliation:
Dept. Physics & Astronomy, University College London, UNITED KINGDOM
D. J. Harris
Affiliation:
School of Chemistry, University of Bath, UNITED KINGDOM
S. C. Parker
Affiliation:
School of Chemistry, University of Bath, UNITED KINGDOM
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Abstract

The methods for computer simulation of grain boundaries and hetero-interfaces in ceramics have long been available. We review developments in the field in two areas; the study of general grain boundaries and the simulation of hetero-interfaces. In both cases we discuss extrapolation from the symmetric case. We will also consider the validity of the continued use of classical potential models in an age of large-scale quantum calculations.

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References

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