Advanced Simulation Framework for the Mesoscale Dynamics of Heterogeneous Explosives

The proposed work seeks to develop a computational tool to conduct sophisticated and realistic computational modeling of the mesoscale dynamics of heterogeneous energetic materials/high explosives (HEs) under the effects of imposed loads. Designing propulsion devices and munitions for precise operational performance demands comprehensive understanding and manipulation of the spatial and temporal distributions of energy release in activated energetic materials. A key aspect of modeling energy deposition from activated HEs is that the fundamental mechanisms of energy release manifest at the scale corresponding to particle sizes (typically tens of microns in size). Therefore, control and manipulation of energetic material performance in a macro-scale system requires understanding, modeling and prediction of its behavior at the mesoscale. The key features of the work are: (a) large-scale simulations of the dynamics and energetics of meso-structures under varying conditions of mechanical loading.; (b) accurate modeling of the material properties of the components of the HE; (c) realistic portrayal of meso-structural details in terms of geometry and composition; (d) the model should provide physical understanding and predictive capabilities that can be translated into quantitative information that can be used to represent meso-scale dynamics in a macro-scale simulation of the overall performance of an explosive/propellant.