Massively-Parallel Dislocation Dynamics Simulations.

Cai, W. ; Bulatov, V. V. ; Pierce, T. G. ; Hiratani, M. ; Rhee, M.

Technical Information Center Oak Ridge Tennessee

关键词: Parallel computation;    Dislocations;    Parallel processing;    Crystals;    Computational materials science;   

RP-ID  :  DE200415007878

学科分类：工程和技术（综合）

美国|英语

来源: National Technical Reports Library

【 摘 要 】

Prediction of the plastic strength of single crystals based on the collective dynamics of dislocations has been a challenge for computational materials science for a number of years. The difficulty lies in the inability of the existing dislocation dynamics (DD) codes to handle a sufficiently large number of dislocation lines, in order to be statistically representative and to reproduce experimentally observed microstructures. A new massively-parallel DD code is developed that is capable of modeling million-dislocation systems by employing thousands of processors. We discuss the general aspects of this code that make such large scale simulations possible, as well as a few initial simulation results.