[SY-I7] Effect of grain boundary structure on its Dynamic Response using Molecular Dynamics
Invited
Grain boundaries (GBs) can play an important role in governing the mechanical behavior and damage evolution of a material during both quasistatic and dynamic loading. However, the general consensus of the shock physics community has been that minute details about the GB structure should not affect the response of a material to dynamic loading. In this paper, we present results of molecular-dynamics simulations investigating whether or not small changes in boundary structure are 'recognized' by the shock wave and can in turn affect the spall strength of a material. As a test case, we will study grain boundaries in both Copper and Tungsten with similar orientation relationships but varying local structures. Specifically, we propose to use grand-canonically optimized structures for grain boundaries that retain their ordered structure even at elevated temperatures.