Molecular dynamics simulations of shock-induced chemical, mechanical, and thermal processes in Ni/Al nanolaminates

We employ molecular dynamics simulations to characterize the chemical and mechanical response of nanostructured Ni/Al multilayers induced by shock loading, using a novel technique that captures both the initial shock transit as well as the subsequent longer-timescale chemical processes. Initially, the softer Al layers are shock-heated to a higher temperature than the harder Ni layers, as a result of a series of shock reflections from the impedance-mismatched interfaces. Once initiated, the highly exothermic alloying reactions can propagate in a self-sustained manner by mass and thermal diffusion.