Mobility of dislocations in aluminum: The role of non-Schmid stress state

Abstract The extent that non-Schmid stresses influence the mobility of dislocations in Al is studied using molecular dynamics (MD) simulations. Specifically, mobility laws for straight screw, 30°, 60° and edge dislocations are atomistically derived for different combinations of Escaig stress, τe, and stress normal to the (111) slip plane, σn. MD simulations show that the mobility of each dislocation is distinctly influenced by non-Schmid stresses. Furthermore, MD simulations of dislocation shear loop expansion show that mobility laws derived from straight dislocations are applicable to describe the more complex behavior of stress-state dependent expansion of a dislocation loop. Data describing the dislocation mobility laws are incorporated into discrete dislocation dynamics (DDD) simulations using a hierarchical multiscale approach. DDD simulations of isolated dislocation loop expansion show strong agreement with MD simulation results, validating the nonlinear multiscale implementation. DDD simulations of dislocation network evolution show that the use of stress state dependent dislocation mobility laws provides quantifiable changes to the plastic deformation path, which leads to different final microstructures. The results presented here demonstrate the key role that local stresses, experienced by the dislocation core, play on the evolution of a dislocation network during plastic deformation.