Theoretical study for anisotropic responses of the condensed-phase RDX under shock loadings.

We have performed quantum-based molecular dynamics (MD) simulations in conjunction with multiscale shock technique (MSST) to investigate the initial chemical processes and the anisotropy of shock sensitivity of the RDX under shock loading applied along the different directions. The results show that there is a difference between x (or y)-direction and z-direction in the response to a shock wave velocity of 12 km/s. It was shown that detonation temperature and pressure in the z-direction lags behind that of x-direction (or y-direction). Moreover, from the time evolution of the population of various key fragments, we also observe that along with z-direction significantly later than that of x (or y)-direction, which the reaction rate is also slower. Thus, we draw a conclusion that sensitive for shock propagation along x or y-direction, but less sensitive for shock propagation along z-direction.