Molecular-Dynamics Study of Grain-Boundary Migration in Metals
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ABSTRACTThe 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.
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