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The Embedded Atom Method: Theory and Application*

Published online by Cambridge University Press:  28 February 2011

M. I. Baskes,
M. S. Daw and
S. M. Foiles
M. I. Baskes
Affiliation:
Sandia National Laboratories, Livermore, CA 94551-0969
M. S. Daw
Affiliation:
Sandia National Laboratories, Livermore, CA 94551-0969
S. M. Foiles
Affiliation:
Sandia National Laboratories, Livermore, CA 94551-0969
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Abstract

The Embedded Atom Method (EAM), a modem theory of metallic bonding, has been developed to provide a simple but accurate method of evaluating the energy and forces for an arbitrary arrangement of atoms. The relationships between the EAM and the underlying electron density theory will be discussed. Specific examples of EAM calculations of surface reconstruction for (110) fcc materials will be predicted and compared to experiment. The examples will include temperature effects in gold. The results of molecular dynamics calculations of the mechanical properties of nickel also will be presented. Topics to be discussed include dislocation mobility and dislocation emission from a stressed crack in nickel. The dislocation calculations will be related to continuum modelling.

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Footnotes

*

Work supported by U. S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences.

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