Effect of symmetrical and asymmetrical tilt grain boundaries with <001> as the tilt axis on the shock response of bi-crystalline Ni

Aim of this article is to study the effect of tilt grain boundaries on the shock response of single and bi-crystalline nickel. Nickel is commonly used in many structural applications, but research on dynamic response is very limited or in an immature stage. In this article, molecular dynamics-based simulations were performed in conjunction with embedded atom method potential to quantify the response of shock in bi-crystalline Ni containing symmetrical or asymmetrical tilt grain boundaries. Simulations were performed under the influence of adiabatic conditions. Compressive ultra-shock pulse of width 2 ps was simulated in the simulation box; stress, particle velocity, dislocation emission and phase transformation were quantified for symmetrical and asymmetrical tilt grain boundaries in bi-crystalline Ni. It was concluded from the simulations that higher misorientation angle between the crystals of Ni help in retarding the shock front velocity and stress. The alternation in the shock front behavior was associated with the change in deformation governing mechanism. The emission of dislocations and formation of Lomer Cottrell lock governs deformation in symmetrical tilt grain boundary configurations under shock pulse loading. It was concluded from the set of simulations that plastic deformation blunts the shock front in bi-crystalline Ni, whereas the sharp shock front was observed in single crystal Ni. Radial distribution function in post shock atomistic configurations was performed to capture the stability of the crystal in post shock scenario. Asymmetrical tilt grain boundaries are not as efficient in restricting the shock front as symmetrical tilt grain boundary configurations.