Critical Shape for the Growth of Grain Boundary Twin Embryos in Mg and Mg Alloys: Crystal Plasticity Modeling

Abstract

Application of polycrystalline hexagonal close packed (HCP) metals in engineering designs has been constrained by their anisotropic responses due to twinning and limited plasticity. In deformation, twins most often initiate at grain boundaries (GBs), and thicken and propagate across the grain. In this work, the GB twin embryos in Mg and Mg alloys, and the conditions that influence their propagation are investigated. Using a micromechanical crystal plasticity model, the role of embryo shape on the driving forces prevailing at the embryo boundaries that could support its expansion is studied. The modeled embryos are either planar, extending more in the shear direction than normal to the twin plane, or equiaxed. Results show that the thinner the embryo, the greater the driving forces for both thickening and forward propagation. Alloys with low prismatic-to-basal critical resolved shear stress (CRSS) ratios promote embryo thickening and large CRSS values for the slip mode that primarily accommodates the twin shear encourage propagation. The neighboring grains with orientations that enable local accommodation of the embryo twin shear by pyramidal slip promote forward propagation but have little effect on thickening. When two like embryos lie along the same GB, their paired interaction promotes forward propagation but hinders thickening.