Anti-thermal mobility in the Σ3 [111] 60° {1185} grain boundary in nickel: Mechanism and computational considerations

SCRIPTA MATERIALIA

卷:130

Article

Humberson, Jonathan¹  Holm, Elizabeth A.¹ 

[1] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA

关键词: Grain boundary structure;    Grain boundary migration;    Facets;    Molecular dynamics (MD);    Anti-thermal motion;   

DOI  :  10.1016/j.scriptamat.2016.10.032

来源: Elsevier

【 摘 要 】

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.

【 授权许可】

Free