Multiscale Development of Predictive Constitutive Models to Resolve the Shock to Detonation Transition

Predicting the initiation of energetic materials under a variety of mechanical stimuli and thermodynamic conditions will result in much needed insight into the connection between fundamental chemical and microstructural properties and the detonation performance. Current experimental characterization of new/novel energetic materials can be both costly and time-consuming, thus resulting in a lack of materials property data necessary to deploy accurate constitutive models into existing simulation methods. These poorly constrained simulations can thus only provide a qualitative understanding of shock-to-detonation. We demonstrate a multiscale framework that leverages different computational methods to study materials behavior across a variety of shock conditions and length- and time-scales. Parameterization of continuum-scale strength models have been parameterized from high fidelity simulation codes to efficiently study hotspot dynamics. This talk will detail our computational approach for generating a massive number of candidate models, from which a few are screened and analyzed in terms of their pore collapse behavior. We will demonstrate the viability for this multiscale approach to provide rapid progress toward accurate strength models beyond what is experimentally capable.