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

Author:

Rickman J.M.,Phillpot S.R.,Wolf D.,Woodraska D.L.,Yip S.

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.

Publisher

Springer Science and Business Media LLC

Subject

Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science

Reference33 articles.

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4. 27. Lutsko J. F. and Wolf D. , unpublished work; see also S. R. Phillpot, S. Yip, P. R. Okamoto, and D. Wolf, in Atomic-Level Properties of Interface Materials, edited by Wolf D. and Yip S. , to be published by Chapman and Hall, London.

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