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Article: Disconnection description of triple-junction motion

TitleDisconnection description of triple-junction motion
Authors
KeywordsMaterials science
Grain boundary
Metals
Microstructure evolution
Molecular dynamics
Migration
Issue Date2019
Citation
Proceedings of the National Academy of Sciences of the United States of America, 2019, v. 116, n. 18, p. 8756-8765 How to Cite?
AbstractGrain boundary (GB) migration in polycrystalline materials necessarily implies the concurrent motion of triple junctions (TJs), the lines along which three GBs meet. Today, we understand that GB migration occurs through the motion of disconnections in the GB plane (line defects with both step and dislocation character). We present evidence from molecular dynamics grain growth simulations and idealized microstructures that demonstrates that TJ motion and GB migration are coupled through disconnection dynamics. Based on these results, we develop a theory of coupled GB/TJ migration and use it to develop a physically based, disconnection mechanism-specific continuum model of microstructure evolution. The continuum approach provides a means of reducing the complexity of the discrete disconnection picture to extract the features of disconnection dynamics that are important for microstructure evolution. We implement this model in a numerical, continuum simulation and demonstrate that it is capable of reproducing the molecular dynamics (MD) simulation results.
Persistent Identifierhttp://hdl.handle.net/10722/303873
ISSN
2023 Impact Factor: 9.4
2023 SCImago Journal Rankings: 3.737
PubMed Central ID
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorThomas, Spencer L.-
dc.contributor.authorWei, Chaozhen-
dc.contributor.authorHan, Jian-
dc.contributor.authorXiang, Yang-
dc.contributor.authorSrolovitz, David J.-
dc.date.accessioned2021-09-15T08:26:11Z-
dc.date.available2021-09-15T08:26:11Z-
dc.date.issued2019-
dc.identifier.citationProceedings of the National Academy of Sciences of the United States of America, 2019, v. 116, n. 18, p. 8756-8765-
dc.identifier.issn0027-8424-
dc.identifier.urihttp://hdl.handle.net/10722/303873-
dc.description.abstractGrain boundary (GB) migration in polycrystalline materials necessarily implies the concurrent motion of triple junctions (TJs), the lines along which three GBs meet. Today, we understand that GB migration occurs through the motion of disconnections in the GB plane (line defects with both step and dislocation character). We present evidence from molecular dynamics grain growth simulations and idealized microstructures that demonstrates that TJ motion and GB migration are coupled through disconnection dynamics. Based on these results, we develop a theory of coupled GB/TJ migration and use it to develop a physically based, disconnection mechanism-specific continuum model of microstructure evolution. The continuum approach provides a means of reducing the complexity of the discrete disconnection picture to extract the features of disconnection dynamics that are important for microstructure evolution. We implement this model in a numerical, continuum simulation and demonstrate that it is capable of reproducing the molecular dynamics (MD) simulation results.-
dc.languageeng-
dc.relation.ispartofProceedings of the National Academy of Sciences of the United States of America-
dc.subjectMaterials science-
dc.subjectGrain boundary-
dc.subjectMetals-
dc.subjectMicrostructure evolution-
dc.subjectMolecular dynamics-
dc.subjectMigration-
dc.titleDisconnection description of triple-junction motion-
dc.typeArticle-
dc.description.naturelink_to_OA_fulltext-
dc.identifier.doi10.1073/pnas.1820789116-
dc.identifier.pmid30988185-
dc.identifier.pmcidPMC6500162-
dc.identifier.scopuseid_2-s2.0-85065508122-
dc.identifier.volume116-
dc.identifier.issue18-
dc.identifier.spage8756-
dc.identifier.epage8765-
dc.identifier.eissn1091-6490-
dc.identifier.isiWOS:000466446500023-

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