Shock wave loading and spallation of copper bicrystals with asymmetric Σ3〈110〉tilt grain boundaries

We investigate the effect of asymmetric grain boundaries (GBs) on the shock response of Cu bicrystals with molecular dynamics simulations. We choose a representative Σ3〈110〉tilt GB type, (110)_1/(114)_2, and a grain size of about 15 nm. The shock loading directions lie on the GB plane and are along [001] and [221] for the two constituent crystals. The bicrystal is characterized in terms of local structure, shear strain, displacement, stress and temperature during shock compression, and subsequent release and tension. The shock response of the bicrystal manifests pronounced deviation from planar loading as well as strong stress and strain concentrations, due to GBs and the strong anisotropy in elasticity and plasticity. We explore incipient to full spallation. Voids nucleate either at GBs or on GB-initiated shear planes, and the spall damage also depends on grain orientation