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Molecular dynamics simulations of grain boundary diffusion in Al using embedded atom method potentials

Published online by Cambridge University Press:  03 March 2011

Chun-Li Liu  and
S.J. Plimpton
Chun-Li Liu
Affiliation:
Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830
S.J. Plimpton
Affiliation:
Sandia National Laboratories, Albuquerque, New Mexico 87185
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Abstract

Molecular dynamics (MD) simulations of diffusion in a Σ5(310) [001] Al tilt grain boundary were performed using for the first time three different potentials based on the embedded atom method (EAM). The EAM potentials that produce more accurate melting temperatures also yield activation energies in better agreement with experimental data. Compared to pair potentials, the EAM potentials also give more accurate results.

Type
Rapid Communication
Information
Journal of Materials Research , Volume 10 , Issue 7 , July 1995 , pp. 1589 - 1592
Copyright
Copyright © Materials Research Society 1995

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References

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