Phase-field approach to evolution and interaction of twins in single crystal magnesium

Abstract

Crack initiation and propagation as well as abrupt occurrence of twinning are challenging fracture problems where the transient phase-field approach is proven to be useful. Early-stage twinning growth and interactions are in focus herein for a magnesium single crystal at the nanometer length-scale. We demonstrate a basic methodology in order to determine the mobility parameter that steers the kinetics of phase-field propagation. The concept is to use already existing molecular dynamics simulations and analytical solutions in order to set the mobility parameter correctly. In this way, we exercise the model for gaining new insights into growth of twin morphologies, temporally-evolving spatial distribution of the shear stress field in the vicinity of the nanotwin, multi-twin, and twin-defect interactions. Overall, this research addresses gaps in our fundamental understanding of twin growth, while providing motivation for future discoveries in twin evolution and their effect on next-generation material performance and design.