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Simple embedded atom method model for fcc and hcp metals

Published online by Cambridge University Press:  31 January 2011

D. J. Oh and
R. A. Johnson
D. J. Oh
Affiliation:
Department of Materials Science, Thornton Hall, University of Virginia, Charlottesvile, Virginia 22901
R. A. Johnson
Affiliation:
Department of Materials Science, Thornton Hall, University of Virginia, Charlottesvile, Virginia 22901
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Abstract

A procedure based on the embedded atom method (EAM) is presented for developing atomistic models for use in computer simulation calculations, with an emphasis on simple but general schemes for matching experimental data with fitting parameters. Both the electron density function and the two-body potential are taken as exponentially decreasing functions and the model is derived for any choice of cutoff distance. The model has been applied successfully to seven fcc and three hcp metals, but the extension to bcc metals was unsuccessful because of difficulty in matching the shear anisotropy ratio.

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Articles
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Journal of Materials Research , Volume 3 , Issue 3 , June 1988, pp. 471 - 478
Copyright
Copyright © Materials Research Society 1988

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References

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