From laminar to turbulent detonations in energetic materials from molecular dynamics simulations

The structure of a self-sustained detonation wave in solid energetic materials was studied using molecular dynamics simulations. Energetic materials are described by the AB model with parameters modified to investigate the detonation-wave structures. It is found that depending on the reaction barrier for the exothermic reactions driving the detonation and the boundary conditions of the sample this simple model exhibits a detonation structure that can range from a planar to a complex turbulent detonation. The different regimes of condensed-phase detonation seen are similar to those observed in gases and diluted liquids.