A molecular dynamics-informed probabilistic cross-slip model in discrete dislocation dynamics

SCRIPTA MATERIALIA

卷:190

Article

Malka-Markovitz, Alon¹  Devincre, Benoit²  Mordehai, Dan¹ 

[1] Technion Israel Inst Technol, Dept Mech Engn, IL-32000 Haifa, Israel

[2] CNRS ONERA, LEM, UMR 104, 29 Av Div Leclerc, Chatillon, France

关键词: Cross-slip;    Discrete dislocation dynamics;    Line tension model;    Escaig stresses;    Schmid stresses;   

DOI  :  10.1016/j.scriptamat.2020.08.008

来源: Elsevier

【 摘 要 】

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. (C) 2020 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

【 授权许可】

Free