A computational method for multi-scale modeling of plasticity was presented wherein each dislocation was 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 were too large for fully atomistic simulation while preserving accurate atomistic details where necessary, but was currently limited to a 2-dimensional implementation. A validation test was performed by comparing the method against full atomistic simulations for a 2-dimensional nano-indentation problem.

Coupled Atomistic and Discrete Dislocation Plasticity. L.E.Shilkrot, R.E.Miller, W.A.Curtin: Physical Review Letters, 2002, 89[2], 025501 (4pp)