|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Algorithm Development in Materials Science and Engineering
||PyCAC: The Concurrent Atomistic-continuum Simulator with a Python Scripting Interface
||Shuozhi Xu, Thomas G. Payne, Hao Chen, Yongchao Liu, Liming Xiong, Youping Chen, David L. McDowell
|On-Site Speaker (Planned)
In recent years, the concurrent atomistic-continuum (CAC) approach has been developed and employed as an effective tool for coarse-grained modeling of dislocation-mediated metal plasticity problems, including screw dislocation cross-slip, dislocation/obstacle interactions, dislocation/stacking fault interactions, dislocations bowing out from obstacles, dislocation multiplication from Frank-Read sources, sequential slip transfer of dislocations across grain boundaries, transonic dislocation dynamics, and dynamic fracture. An efficient implementation of the CAC code is introduced which is general, user friendly, extensible, and object-oriented, and wrapped with a Python scripting interface. The code runs in parallel using MPI with a domain decomposition algorithm. Both the dynamic and quasistatic CAC approaches are formulated and implemented, enabling studies of rate-dependent metal plasticity in a variety of loading conditions at a fraction of the cost of a fully atomistic simulation. Several example problems are given.
||Planned: Supplemental Proceedings volume