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Tilt Boundaries In BCC Metals:Comparison of Results Using Different Interatomic Interactions

Published online by Cambridge University Press:  26 February 2011

S. M. Foiles,
M. S. Daw and
R. B. Phillips
S. M. Foiles
Affiliation:
Theoretical Division, Sandia National Laboratories, Livermore, CA 94551–0969
M. S. Daw
Affiliation:
Theoretical Division, Sandia National Laboratories, Livermore, CA 94551–0969
R. B. Phillips
Affiliation:
Theoretical Division, Sandia National Laboratories, Livermore, CA 94551–0969
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Abstract

Two classes of interatomic interactions, the embedded atom method and the model generalized pseudopotential theory are used to calculate the structure of tilt boundaries in bcc metals.These interactions differ in the inclusion of explicitlyangular dependent interactions. The results show that these different models of the interactions can lead to qualitatively different predictions for the atomic structure of the boundary. The applicability of the embedded atom method to bcc transition metals is also discussed.

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Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 209: Symposium K – Defects in Materials , 1990, 65
Copyright
Copyright © Materials Research Society 1991

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References

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