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- Publisher Website: 10.1073/pnas.0900227106
- Scopus: eid_2-s2.0-66049085599
- PMID: 19416913
- WOS: WOS:000266208900013
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Article: Grain boundaries exhibit the dynamics of glass-forming liquids
Title | Grain boundaries exhibit the dynamics of glass-forming liquids |
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Authors | |
Keywords | Grain-boundary mobility Glass formation Polycrystalline materials Molecular dynamics String-like collective motion |
Issue Date | 2009 |
Citation | Proceedings of the National Academy of Sciences of the United States of America, 2009, v. 106, n. 19, p. 7735-7740 How to Cite? |
Abstract | Polycrystalline materials are composites of crystalline particles or "grains" separated by thin "amorphous" grain boundaries (GBs). Although GBs have been exhaustively investigated at low temperatures, at which these regions are relatively ordered, much less is known about them at higher temperatures, where they exhibit significant mobility and structural disorder and characterization methods are limited. The time and spatial scales accessible to molecular dynamics (MD) simulation are appropriate for investigating the dynamical and structural properties of GBs at elevated temperatures, and we exploit MD to explore basic aspects of GB dynamics as a function of temperature. It has long been hypothesized that GBs have features in common with glass-forming liquids based on the processing characteristics of polycrystalline materials. We find remarkable support for this suggestion, as evidenced by string-like collective atomic motion and transient caging of atomic motion, and a non-Arrhenius GB mobility describing the average rate of large-scale GB displacement. |
Persistent Identifier | http://hdl.handle.net/10722/303343 |
ISSN | 2023 Impact Factor: 9.4 2023 SCImago Journal Rankings: 3.737 |
PubMed Central ID | |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Zhang, Hao | - |
dc.contributor.author | Srolovitz, David J. | - |
dc.contributor.author | Douglas, Jack F. | - |
dc.contributor.author | Warren, James A. | - |
dc.date.accessioned | 2021-09-15T08:25:07Z | - |
dc.date.available | 2021-09-15T08:25:07Z | - |
dc.date.issued | 2009 | - |
dc.identifier.citation | Proceedings of the National Academy of Sciences of the United States of America, 2009, v. 106, n. 19, p. 7735-7740 | - |
dc.identifier.issn | 0027-8424 | - |
dc.identifier.uri | http://hdl.handle.net/10722/303343 | - |
dc.description.abstract | Polycrystalline materials are composites of crystalline particles or "grains" separated by thin "amorphous" grain boundaries (GBs). Although GBs have been exhaustively investigated at low temperatures, at which these regions are relatively ordered, much less is known about them at higher temperatures, where they exhibit significant mobility and structural disorder and characterization methods are limited. The time and spatial scales accessible to molecular dynamics (MD) simulation are appropriate for investigating the dynamical and structural properties of GBs at elevated temperatures, and we exploit MD to explore basic aspects of GB dynamics as a function of temperature. It has long been hypothesized that GBs have features in common with glass-forming liquids based on the processing characteristics of polycrystalline materials. We find remarkable support for this suggestion, as evidenced by string-like collective atomic motion and transient caging of atomic motion, and a non-Arrhenius GB mobility describing the average rate of large-scale GB displacement. | - |
dc.language | eng | - |
dc.relation.ispartof | Proceedings of the National Academy of Sciences of the United States of America | - |
dc.subject | Grain-boundary mobility | - |
dc.subject | Glass formation | - |
dc.subject | Polycrystalline materials | - |
dc.subject | Molecular dynamics | - |
dc.subject | String-like collective motion | - |
dc.title | Grain boundaries exhibit the dynamics of glass-forming liquids | - |
dc.type | Article | - |
dc.description.nature | link_to_OA_fulltext | - |
dc.identifier.doi | 10.1073/pnas.0900227106 | - |
dc.identifier.pmid | 19416913 | - |
dc.identifier.pmcid | PMC2683136 | - |
dc.identifier.scopus | eid_2-s2.0-66049085599 | - |
dc.identifier.volume | 106 | - |
dc.identifier.issue | 19 | - |
dc.identifier.spage | 7735 | - |
dc.identifier.epage | 7740 | - |
dc.identifier.eissn | 1091-6490 | - |
dc.identifier.isi | WOS:000266208900013 | - |