Physics-Based Multi-Scale Modeling of Shear Initiated Reactions in Energetic and Reactive Materials

摘要

We developed a multi-scale approach for simulating shear initiated reactions that spans from the molecular scale to the mesoscale (length scale of material heterogeneities) to the full continuum scale (length scale of the weapon system) and implemented it into the Combined Hydro and Radiation Transport Diffusion (CTH) hydrocode developed by Sandia National Laboratory. We demonstrated that the new approach allows predictions not previously possible for energetic materials when subjected to loads that result in shear localizations. This computational tool provides a novel modeling capability that opens previously unavailable avenues by bridging the gaps between multiple scales to enable improved predictions towards designing armor and anti-armor devices. It also enables the development of concepts for enhanced survivability and lethality, primarily in the areas of insensitive munitions, reactive armor, and the development of novel concepts and designs using reactive materials.