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Atomistic Structure of High Index Surfaces

Published online by Cambridge University Press:  15 February 2011

Batsirai Mutasa  and
Diana Farkas
Batsirai Mutasa
Affiliation:
Department of Materials Science and Engineering, Virginia Polytechnic Institute, Blacksburg, VA 24061
Diana Farkas
Affiliation:
Department of Materials Science and Engineering, Virginia Polytechnic Institute, Blacksburg, VA 24061
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Abstract

Interatomic potentials of the embedded atom (EAM) type were used to study the atomistic structure of high index surfaces in metals and ordered alloys. The results show that a structural unit model can be developed to model the structure of the high index surfaces on the basis of the structure of a few low energy surfaces. The model can predict the structural features and give an estimate of the energies of the higher index surfaces. We present examples of Fe, B2 FeAl and NiAl.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 440: Symposia CA – Structure and Evolution of Surfaces , 1996 , 39
Copyright
Copyright © Materials Research Society 1997

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