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Molecular-Dynamics Study of Grain-Boundary Migration in Metals

Published online by Cambridge University Press:  16 February 2011

J. M. Rickman ,
S. R. Phillpot  and
D. Wolf
J. M. Rickman
Affiliation:
Materials Science Division, Argonne National Laboratory Argonne, IL 60439
S. R. Phillpot
Affiliation:
Materials Science Division, Argonne National Laboratory Argonne, IL 60439
D. Wolf
Affiliation:
Materials Science Division, Argonne National Laboratory Argonne, IL 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 (MD) simulation. The migration is investigated by calculating changes in the planar structure factor Sp(k), the orientation of interparticle bonds in the migrating plane, and the motion of the center of mass of planes near the grain boundary. It is found that (a) migration is accompanied by sliding, and (b) each migration step consists of a series of local bond rearrangements. It appears that, as a precursor to migration, Frenkel-like defects are produced at the grain boundary.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 193: Symposium Q – Atomic Scale Calculations of Structure in Materials , 1990 , 325
Copyright
Copyright © Materials Research Society 1990

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References

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