(541f) Hydrodynamic Simulations of Energetic Materials at the Grain Scale

To date, relatively little work has been done modeling energetic materials at the mesoscale. Any comprehensive work in the area of multi-scale modeling must include work at this scale. Modeling energetic materials as a continuum using a conventional programmed burn algorithm is insufficient to predict nonideal effects in explosives. A more physically based method involves using a Monte Carlo based particle packing algorithm to generate an initial representation of an explosive's crystal morphology that is then transferred into a hydrodynamic code and run using any number of equations of state, strength and chemistry models. This method will lead to more physically based reactive flow models and improved predictive capabilities for the energetic materials community. In this work, we present several computational simulations involving a strong shock wave passing through a granular representative volume element (RVE) of an insensitive high explosive. Several reactive burn models are explored and basic post-processing diagnostics are performed on the RVE to extract metrics of interest. Comparisons are made between purely continuum level calculations and calculations performed at the grain scale. Hydrocodes are shown to be an acceptable tool for the modeling of energetic formulations at the grain scale by capturing important statistical features present in mesoscale shock dynamics.