Crystalline Anisotropy Of Shock-Induced Phenomena: Omni-Directional Multiscale Shock Technique

We propose an omni-directional multiscale shock technique (OD-MSST) to study the shock waves in an arbitrary direction of crystalline materials, atomistically based on the molecular dynamics simulation method. Using OD-MSST, we found transitions from elastic to shear-banding to plastic behaviors for a model covalent crystal. In addition to such a shock "phase diagram," a transition from inter-molecular to intra-molecular mechanochemical reaction pathways was found as a function of crystallographic orientation in an energetic van der Waals crystal. (C) 2016 AIP Publishing LLC.