Anti-thermal mobility in the Sigma 3 111 60 degrees 1185 grain boundary in nickel: Mechanism and computational considerations

J Humberson and EA Holm, SCRIPTA MATERIALIA, 130, 1-6 (2017).

DOI: 10.1016/j.scriptamat.2016.10.032

Synthetic driving force molecular dynamics simulations were performed to examine anti-thermal mobility in the incoherent Sigma 3 111 60 degrees 11 8 5 grain boundary in a model FCC metal. This boundary is faceted, and motion occurs by the movement of the 110 facets via the glide of sets of three Shockley partial dislocations. We explore several consequences of this motion mechanism, and show how additional factors must be taken into consideration when simulating this boundary. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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