Top-Down versus Bottom-Up Multiscale Modeling of Energetic Materials

Shock compression of energetic materials exposes the need for a wide variety of modelling and simulation capabilities due to critical length- and time-scales that easily span many orders of magnitude. For example, defects and other microstructure features give rise to hotspots which initiate chemical reactions on the nanometer and sub-nanosecond timescales, all of which complicate our predictions of sensitivity. To improve the safe use and reliability of energetic components in a time and cost effective manner, our modelling and simulation efforts need to be tightly coupled yet flexible enough to avoid shortcomings due to approximations baked into these tools.