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On the mechanism of grain-boundary migration in metals: A molecular dynamics study

Published online by Cambridge University Press:  31 January 2011

J.M. Rickman ,
S.R. Phillpot ,
D. Wolf ,
D.L. Woodraska  and
S. Yip
J.M. Rickman
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439
S.R. Phillpot
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439
D. Wolf
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439
D.L. Woodraska
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439
S. Yip
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439
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Abstract

The migration of a (100) θ = 43.6°(Σ29) twist grain boundary is observed during the course of a molecular-dynamics simulation. The atomic-level details of the migration are investigated by determining the time dependence of the planar structure factor, a function of the planar interparticle bond angles, and the location of the center of a mass of planes near the grain boundary. It is found that a migration step consists of local bond rearrangements which, when the simulation cell is made large enough, produce domain-like structures in the migrating plane. Although no overall sliding is observed during migration, a local sliding of the planes near the migrating grain boundary accompanies the migration process. It is suggested that a three-dimensional cloud of thermally produced Frenkel-like point defects near the boundary accompanies, and facilitates, its migration.

Type
Articles
Information
Journal of Materials Research , Volume 6 , Issue 11 , November 1991 , pp. 2291 - 2304
Copyright
Copyright © Materials Research Society 1991

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