Deformation of metals under dynamic loading: Characterization via atomic-scale orientation mapping

Crystallographic orientation evolution of metals under dynamic loading conditions is of considerable interest, but rarely explored in simulations at atomistic scales. Here we present a methodology for atomic-scale orientation mapping, with atomic positions as input. The rotation matrix representing the orientation of a crystallite consisting of a central atom and its nearest neighbors, and corresponding Euler angles, are calculated, which are used for orientation analysis and visualization. As application cases, we investigate orientation evolution related to grain boundary migration, deformation twinning, deformation within grain interior, partial grain rotation, and grain refinement in representative FCC, BCC and HCP metals under dynamic loading conditions including shock loading.