Phase field dislocation dynamics formulation coupled with Fourier based micromechanics solver and its application to grain boundary-dislocation interactions

A new phase field dislocation dynamics formulation is presented, which couples micromechanical solvers and the time-dependent Ginzburg-Landau equation. Grain boundary (GB)-dislocation interactions are studied by describing GBs as inclusions. Grain boundary properties are computed from Molecular Statics simulations and an additional contribution to the total energy that takes into account the GB energy is considered in the calculations. Interaction of a screw dislocation with minimum energy and metastable states of low and high angle $⟨$110$⟩$ symmetric tilt grain boundaries are studied. We show good agreement between predictions from our phase field dislocation dynamics formulation and molecular dynamics simulations of grain boundary-dislocation interactions.