A molecular dynamics-informed probabilistic cross-slip model in discrete dislocation dynamics
作者： Alon Malka-Markovitz , Benoit Devincre , Dan Mordehai
DOI: 10.1016/J.SCRIPTAMAT.2020.08.008
关键词:
摘要: Abstract We present here a quantitative study of dislocation cross-slip, an essential thermally activated process in deformation metals, discrete dynamics (DDD) simulations. implemented stress-dependent line-tension model DDD simulations, with minimal information from molecular (MD) This allows reproducing simulations the probabilistic cross-slip rate calculated MD for Cu large range stresses and temperatures. The implementation atomically-scale accurate simulating more accurately phenomena such as softening, dislocation-precipitate interaction patterning
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