  Detonation of a three-dimensional reactive non-isotropic molecular crystal is
modeled using molecular dynamics simulations. The detonation process is
initiated by an impulse, followed by the creation of a stable fast reactive
shock wave. The terminal shock velocity is independent of the initiation
conditions. Further analysis shows supersonic propagation decoupled from the
dynamics of the decomposed material left behind the shock front. The dependence
of the shock velocity on crystal nonlinear compressibility resembles solitary
behavior. These properties categorize the phenomena as a weak detonation. The
dependence of the detonation wave on microscopic potential parameters was
investigated. An increase in detonation velocity with the reaction
exothermicity reaching a saturation value is observed. In all other respects
the model crystal exhibits typical properties of a molecular crystal.
