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- Publisher Website: 10.1016/j.actamat.2004.09.004
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Article: Curvature driven grain boundary migration in aluminum: Molecular dynamics simulations
Title | Curvature driven grain boundary migration in aluminum: Molecular dynamics simulations |
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Authors | |
Keywords | Simulation Molecular dynamics Grain boundary migration Aluminum |
Issue Date | 2005 |
Citation | Acta Materialia, 2005, v. 53, n. 1, p. 79-86 How to Cite? |
Abstract | Molecular dynamics simulations have been used to study steady-state, capillarity-driven grain boundary migration in three dimensions for a series of 〈111〉-tilt boundaries in aluminum. The reduced boundary mobility and boundary enthalpy were determined as a function of misorientation and temperature. For the misorientations examined, the reduced mobility is a maximum and the activation energy for migration is a minimum at the Σ7 misorientation. The reduced mobility is an Arrhenius function of temperature. Excellent agreement between the present three-dimensional simulation results, those obtained earlier in two dimensions and experiment is obtained for a wide variety of features, with the notable exception of the magnitude of the grain boundary mobility. The mobilities from the simulations are much higher than from experiment; the activation energies for migration are much lower. The present results are intrinsic, while the experimental measurements may be limited by extrinsic factors such as impurity drag. © 2004 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
Persistent Identifier | http://hdl.handle.net/10722/303824 |
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 | Zhang, H. | - |
dc.contributor.author | Upmanyu, M. | - |
dc.contributor.author | Srolovitz, D. J. | - |
dc.date.accessioned | 2021-09-15T08:26:05Z | - |
dc.date.available | 2021-09-15T08:26:05Z | - |
dc.date.issued | 2005 | - |
dc.identifier.citation | Acta Materialia, 2005, v. 53, n. 1, p. 79-86 | - |
dc.identifier.issn | 1359-6454 | - |
dc.identifier.uri | http://hdl.handle.net/10722/303824 | - |
dc.description.abstract | Molecular dynamics simulations have been used to study steady-state, capillarity-driven grain boundary migration in three dimensions for a series of 〈111〉-tilt boundaries in aluminum. The reduced boundary mobility and boundary enthalpy were determined as a function of misorientation and temperature. For the misorientations examined, the reduced mobility is a maximum and the activation energy for migration is a minimum at the Σ7 misorientation. The reduced mobility is an Arrhenius function of temperature. Excellent agreement between the present three-dimensional simulation results, those obtained earlier in two dimensions and experiment is obtained for a wide variety of features, with the notable exception of the magnitude of the grain boundary mobility. The mobilities from the simulations are much higher than from experiment; the activation energies for migration are much lower. The present results are intrinsic, while the experimental measurements may be limited by extrinsic factors such as impurity drag. © 2004 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. | - |
dc.language | eng | - |
dc.relation.ispartof | Acta Materialia | - |
dc.subject | Simulation | - |
dc.subject | Molecular dynamics | - |
dc.subject | Grain boundary migration | - |
dc.subject | Aluminum | - |
dc.title | Curvature driven grain boundary migration in aluminum: Molecular dynamics simulations | - |
dc.type | Article | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1016/j.actamat.2004.09.004 | - |
dc.identifier.scopus | eid_2-s2.0-9244253193 | - |
dc.identifier.volume | 53 | - |
dc.identifier.issue | 1 | - |
dc.identifier.spage | 79 | - |
dc.identifier.epage | 86 | - |
dc.identifier.isi | WOS:000225718100005 | - |