Mesoscale simulation of grain boundaries

The mechanical behavior of most metals in engineering applications is dominated by the grain size. Physics-based models of the interaction between dislocations and the grain boundary are important to correctly predict the plastic deformation behavior of polycrystalline materials. Dislocation-grain boundary interaction is complex and a challenge to model. In this talk, I will present a short history, opportunities, and challenges for modeling grain boundaries at the mesoscale using discrete dislocation dynamics. This includes an effective model and a novel model for physical transmission of dislocations through grain boundaries with a residual grain boundary dislocation. In addition, I will provide an outlook how these models can and should be calibrated using micromechanical experiments on bicrystals.