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The application of the analytic embedded atom method to bcc metals and alloys

Published online by Cambridge University Press:  31 January 2011

A.M. Guellil  and
J.B. Adams
A.M. Guellil
Affiliation:
Department of Materials Science and Engineering, University of Illinois, Urbana, Illinois 61801
J.B. Adams
Affiliation:
Department of Materials Science and Engineering, University of Illinois, Urbana, Illinois 61801
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Abstract

Johnson and Oh have recently developed Embedded Atom Method potentials for bcc metals (Na, Li, K, V, Nb, Ta, Mo, W, Fe). The predictive power of these potentials was first tested by calculating vacancy formation and migration energies. Due to the results of these calculations, some of the functions were slightly modified to improve their fit to vacancy properties. The modified potentials were then used to calculate phonon dispersion curves, surface relaxations, surface energies, and thermal expansion. In addition, Johnson's alloy model, which works well for fcc metals, was applied to the bcc metals to predict dilute heats of solution.

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Articles
Information
Journal of Materials Research , Volume 7 , Issue 3 , March 1992 , pp. 639 - 652
Copyright
Copyright © Materials Research Society 1992

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