A molecular dynamics-informed probabilistic cross-slip model in discrete dislocation dynamics. (1st January 2021)

• Record Type: Journal Article
• Authors: Malka-Markovitz, Alon; Devincre, Benoit; Mordehai, Dan
• Is Part Of: Scripta materialia. Number 190(2021)
• Page Start: 7
• Page End: 11
• Publication Date: 2021-01-01
• Subjects: Cross-slip -- Discrete dislocation dynamics -- Line tension model -- Escaig stresses -- Schmid stresses; Materials -- Periodicals; Metallurgy -- Periodicals; Metalen; Legeringen; Materiaalkunde; Metals, metalworking and machinery industries; Metals; Electronic journals; 620.11
• DOI: 10.1016/j.scriptamat.2020.08.008
• Languages: English
• ISSNs: 1359-6462

Abstract

Abstract: We present here a quantitative study of dislocation cross-slip, an essential thermally activated process in deformation of metals, in discrete dislocation dynamics (DDD) simulations. We implemented a stress-dependent line-tension model in DDD simulations, with minimal information from molecular dynamics (MD) simulations. This model allows reproducing in DDD simulations the probabilistic cross-slip rate calculated in MD simulations for Cu in a large range of stresses and temperatures. The implementation of an atomically-scale accurate cross-slip model allows simulating more accurately phenomena such as deformation softening, dislocation-precipitate interaction and dislocation patterning in DDD simulations. Graphical abstract: Image, graphical abstract