Rate dependence of grain boundary sliding via time-scaling atomistic simulations
Approaching experimentally relevant strain rates has been a long-standing challenge for molecular dynamics method which captures phenomena typically on the scale of nanoseconds or at strain rates of 107 s−1 and higher. Here, we use grain boundary sliding in nanostructures as a paradigmatic problem t...
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Veröffentlicht in: | Journal of applied physics 2017-02, Vol.121 (8) |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | Approaching experimentally relevant strain rates has been a long-standing challenge for molecular dynamics method which captures phenomena typically on the scale of nanoseconds or at strain rates of 107 s−1 and higher. Here, we use grain boundary sliding in nanostructures as a paradigmatic problem to investigate rate dependence using atomistic simulations. We employ a combination of time-scaling computational approaches, including the autonomous basin climbing method, the nudged elastic band method, and kinetic Monte Carlo, to access strain rates ranging from 0.5 s−1 to 107 s−1. Combined with a standard linear solid model for viscoelastic behavior, our simulations reveal that grain boundary sliding exhibits noticeable rate dependence only below strain rates on the order of 10 s−1 but is rate independent and consistent with molecular dynamics at higher strain rates. |
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ISSN: | 0021-8979 1089-7550 |
DOI: | 10.1063/1.4977105 |