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

作者：Humberson Jonathan; Holm Elizabeth A^*

来源：Scripta Materialia, 2017, 130: 1-6.

DOI：10.1016/j.scriptamat.2016.10.032

• Grain boundary structure
• Grain boundary migration
• Facets
• Molecular dynamics (MD)
• Anti-thermal motion

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.

• 出版日期2017-3-15