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Grain boundary finite length faceting

โœ Scribed by Z.X. Wu; Y.W. Zhang; D.J. Srolovitz


Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
593 KB
Volume
57
Category
Article
ISSN
1359-6454

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โœฆ Synopsis


We study symmetrical and asymmetrical aluminium grain boundary faceting with molecular dynamics simulations employing two embedded atom method potentials. Facet formation, coarsening, and the reversible phase transition of P 3f1 1 0g boundary into P 3f1 1 2g twin, and vice versa, are demonstrated in the simulations and the results are consistent with earlier experimental studies and theoretical models. The P 11f0 0 2g 1 =f6 6 7g 2 boundary shows faceting into f2 2 5g 1 =f4 4 1g 2 and f6 6 7g 1 =f0 0 1g 2 boundaries and coarsens with a slower rate when compared to P 3f1 1 2g facets. However, facets formed by f1 1 1g 1 =f1 1 2g 2 and f0 0 1g 1 =f1 1 0g 2 boundaries from a f1 1 6g 1 =f6 6 2g 2 boundary are stable against finite temperature annealing. In the above faceted boundary, elastic strain energy induced by atomic mismatch across the boundary creates barriers to facet coarsening. Grain boundary tension is too small to stabilize the finite length faceting in both P 3f1 1 2g twin and asymmetrical f1 1 1g 1 =f1 1 2g 2 and f0 0 1g 1 =f1 1 0g 2 facets. The observed finite facet sizes are dictated by facet coarsening kinetics which can be strongly retarded by deep local energy minima associated with atomic matching across the boundary.


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