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- Publisher Website: 10.1016/j.actamat.2009.05.026
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Article: Grain boundary finite length faceting
Title | Grain boundary finite length faceting |
---|---|
Authors | |
Keywords | Phase transformations Molecular dynamics simulations Grain boundaries Faceting |
Issue Date | 2009 |
Citation | Acta Materialia, 2009, v. 57, n. 14, p. 4278-4287 How to Cite? |
Abstract | 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 ∑ 3 {1 1 0} boundary into ∑ 3 {1 1 2} twin, and vice versa, are demonstrated in the simulations and the results are consistent with earlier experimental studies and theoretical models. The ∑ 11 {0 0 2}1 / {6 6 7}2 boundary shows faceting into {2 2 5}1 / {4 4 1}2 and {6 6 7}1 / {0 0 1}2 boundaries and coarsens with a slower rate when compared to ∑ 3 {1 1 2} facets. However, facets formed by {1 1 1}1 / {1 1 2}2 and {0 0 1}1 / {1 1 0}2 boundaries from a {1 1 6}1 / {6 6 2}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 ∑ 3 {1 1 2} twin and asymmetrical {1 1 1}1 / {1 1 2}2 and {0 0 1}1 / {1 1 0}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. © 2009 Acta Materialia Inc. |
Persistent Identifier | http://hdl.handle.net/10722/303347 |
ISSN | 2023 Impact Factor: 8.3 2023 SCImago Journal Rankings: 2.916 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Wu, Z. X. | - |
dc.contributor.author | Zhang, Y. W. | - |
dc.contributor.author | Srolovitz, D. J. | - |
dc.date.accessioned | 2021-09-15T08:25:07Z | - |
dc.date.available | 2021-09-15T08:25:07Z | - |
dc.date.issued | 2009 | - |
dc.identifier.citation | Acta Materialia, 2009, v. 57, n. 14, p. 4278-4287 | - |
dc.identifier.issn | 1359-6454 | - |
dc.identifier.uri | http://hdl.handle.net/10722/303347 | - |
dc.description.abstract | 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 ∑ 3 {1 1 0} boundary into ∑ 3 {1 1 2} twin, and vice versa, are demonstrated in the simulations and the results are consistent with earlier experimental studies and theoretical models. The ∑ 11 {0 0 2}1 / {6 6 7}2 boundary shows faceting into {2 2 5}1 / {4 4 1}2 and {6 6 7}1 / {0 0 1}2 boundaries and coarsens with a slower rate when compared to ∑ 3 {1 1 2} facets. However, facets formed by {1 1 1}1 / {1 1 2}2 and {0 0 1}1 / {1 1 0}2 boundaries from a {1 1 6}1 / {6 6 2}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 ∑ 3 {1 1 2} twin and asymmetrical {1 1 1}1 / {1 1 2}2 and {0 0 1}1 / {1 1 0}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. © 2009 Acta Materialia Inc. | - |
dc.language | eng | - |
dc.relation.ispartof | Acta Materialia | - |
dc.subject | Phase transformations | - |
dc.subject | Molecular dynamics simulations | - |
dc.subject | Grain boundaries | - |
dc.subject | Faceting | - |
dc.title | Grain boundary finite length faceting | - |
dc.type | Article | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1016/j.actamat.2009.05.026 | - |
dc.identifier.scopus | eid_2-s2.0-67650162659 | - |
dc.identifier.volume | 57 | - |
dc.identifier.issue | 14 | - |
dc.identifier.spage | 4278 | - |
dc.identifier.epage | 4287 | - |
dc.identifier.isi | WOS:000268653000031 | - |