Prediction of grain-boundary interfacial mechanisms in polycrystalline materials

A multiple slip dislocation-density based crystalline formulation has been coupled to a kinematically based scheme that accounts for grain-boundary (GB) interfacial interactions with dislocation densities. Specialized finite-element formulations have been used to gain detailed understanding of the initiation and evolution of large inelastic deformation modes due to mechanisms that can result from dislocation-density pile-ups at GB interfaces, partial and total dislocation-density transmission from one grain to neighboring grains, and dislocation density absorption within GBs. These formulations provide a methodology that can be used to understand how interactions at the GB interface scale affect overall macroscopic behavior at different inelastic stages of deformation for polycrystalline aggregates due to the interrelated effects of GB orientations, the evolution of mobile and immobile dislocation-densities, slip system orientation, strain hardening, geometrical softening, geometric slip compatibility, and localized plastic strains. Criteria have been developed to identify and monitor the initiation and evolution of multiple regions where dislocation pile-ups at GBs, or partial and total dislocation density transmission through the GB, or absorption within the GB can occur. It is shown that the accurate prediction of these mechanisms is essential to understanding how interactions at GB interfaces affect and control overall material behavior.