Anti-thermal mobility in the Σ3 [111] 60° {11 8 5} grain boundary in nickel: Mechanism and computational considerations. (15th March 2017)

• Record Type: Journal Article
• Authors: Humberson, Jonathan; Holm, Elizabeth A.
• Is Part Of: Scripta materialia. Number 130(2017)
• Page Start: 1
• Page End: 6
• Publication Date: 2017-03-15
• Subjects: Grain boundary structure -- Grain boundary migration -- Facets -- Molecular dynamics (MD) -- Anti-thermal motion; Materials -- Periodicals; Metallurgy -- Periodicals; Metalen; Legeringen; Materiaalkunde; Metals, metalworking and machinery industries; Metals; Electronic journals; 620.11
• DOI: 10.1016/j.scriptamat.2016.10.032
• Languages: English
• ISSNs: 1359-6462

Abstract

Abstract: Synthetic driving force molecular dynamics simulations were performed to examine anti-thermal mobility in the incoherent Σ3 [111] 60° {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. Graphical abstract: