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Article: Boundary mobility and energy anisotropy effects on microstructural evolution during grain growth
Title | Boundary mobility and energy anisotropy effects on microstructural evolution during grain growth |
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Authors | |
Keywords | Molecular dynamics simulation Anisotropic grain boundary mobility Anisotropic grain boundary energy Monte Carlo simulation Phase field model Grain growth |
Issue Date | 2002 |
Citation | Interface Science, 2002, v. 10, n. 2-3, p. 201-216 How to Cite? |
Abstract | We have performed mesoscopic simulations of microstructural evolution during curvature driven grain growth in two-dimensions using anisotropic grain boundary properties obtained from atomistic simulations. Molecular dynamics simulations were employed to determine the energies and mobilities of grain boundaries as a function of boundary misorientation. The mesoscopic simulations were performed both with the Monte Carlo Potts model and the phase field model. The Monte Carlo Potts model and phase field model simulation predictions are in excellent agreement. While the atomistic simulations demonstrate strong anisotropies in both the boundary energy and mobility, both types of microstructural evolution simulations demonstrate that anisotropy in boundary mobility plays little role in the stochastic evolution of the microstructure (other than perhaps setting the overall rate of the evolution. On the other hand, anisotropy in the grain boundary energy Strongly modifies both the topology of the polycrystalline microstructure the kinetic law that describes the temporal evolution of the mean grain size. The underlying reasons behind the strongly differing effects of the two types of anisotropy considered here can be understood based largely on geometric and topological arguments. |
Persistent Identifier | http://hdl.handle.net/10722/303198 |
ISSN | |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Upmanyu, M. | - |
dc.contributor.author | Hassold, G. N. | - |
dc.contributor.author | Kazaryan, A. | - |
dc.contributor.author | Holm, E. A. | - |
dc.contributor.author | Wang, Y. | - |
dc.contributor.author | Patton, B. | - |
dc.contributor.author | Srolovitz, D. J. | - |
dc.date.accessioned | 2021-09-15T08:24:49Z | - |
dc.date.available | 2021-09-15T08:24:49Z | - |
dc.date.issued | 2002 | - |
dc.identifier.citation | Interface Science, 2002, v. 10, n. 2-3, p. 201-216 | - |
dc.identifier.issn | 0927-7056 | - |
dc.identifier.uri | http://hdl.handle.net/10722/303198 | - |
dc.description.abstract | We have performed mesoscopic simulations of microstructural evolution during curvature driven grain growth in two-dimensions using anisotropic grain boundary properties obtained from atomistic simulations. Molecular dynamics simulations were employed to determine the energies and mobilities of grain boundaries as a function of boundary misorientation. The mesoscopic simulations were performed both with the Monte Carlo Potts model and the phase field model. The Monte Carlo Potts model and phase field model simulation predictions are in excellent agreement. While the atomistic simulations demonstrate strong anisotropies in both the boundary energy and mobility, both types of microstructural evolution simulations demonstrate that anisotropy in boundary mobility plays little role in the stochastic evolution of the microstructure (other than perhaps setting the overall rate of the evolution. On the other hand, anisotropy in the grain boundary energy Strongly modifies both the topology of the polycrystalline microstructure the kinetic law that describes the temporal evolution of the mean grain size. The underlying reasons behind the strongly differing effects of the two types of anisotropy considered here can be understood based largely on geometric and topological arguments. | - |
dc.language | eng | - |
dc.relation.ispartof | Interface Science | - |
dc.subject | Molecular dynamics simulation | - |
dc.subject | Anisotropic grain boundary mobility | - |
dc.subject | Anisotropic grain boundary energy | - |
dc.subject | Monte Carlo simulation | - |
dc.subject | Phase field model | - |
dc.subject | Grain growth | - |
dc.title | Boundary mobility and energy anisotropy effects on microstructural evolution during grain growth | - |
dc.type | Article | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1023/A:1015832431826 | - |
dc.identifier.scopus | eid_2-s2.0-0036642030 | - |
dc.identifier.volume | 10 | - |
dc.identifier.issue | 2-3 | - |
dc.identifier.spage | 201 | - |
dc.identifier.epage | 216 | - |
dc.identifier.isi | WOS:000176226900010 | - |