Coupled Atomistic and Discrete Dislocation Plasticity

A computational method for multiscale modeling of plasticity is presented wherein each dislocation is treated as either an atomistic or continuum entity within a single computational framework. The method divides space into atomistic and continuum regions that communicate across a coherent boundary, detects dislocations as they approach the boundary, and seamlessly converts them from one description to another. The method permits the study of problems that are too large for fully atomistic simulation while preserving accurate atomistic details where necessary, but is currently limited to a 2D implementation. A validation test is performed by comparing the method against full atomistic simulations for a 2D nanoindentation problem.