ADAPTIVE ATOMISTIC-CONTINUUM MODELING OF DEFECT INTERACTION WITH THE DEBDM

摘要

New procedures for modeling interactions among dislocations and nanosized cracks within the dynamically evolving bridging domain method (DEBDM) have been developed. The DEBDM is an efficient concurrent atomistic-to-continuum approach based on the bridging domain method, where the atomic domain dynamically adapts to encompass evolving defects. New algorithms for identifying and coarse graining dislocation-induced slip planes have been added to the method, which previously focused on fracture. Additional improvements include continuously varying BDM energy-weighting functions, which allow the fine-graining and coarse-graining transitions to occur smoothly over multiple timesteps, reducing the potential for nonphysical or unstable behavior. Several examples of interacting dislocations and nanocracks are presented to demonstrate the flexibility and efficiency of the method.