| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
Understanding and Predicting Dynamic Behavior of Materials
|
| Presentation Title |
Multiscale Modeling to Study Effects of Microstructure in Shocked Hexanitrostilbene |
| Author(s) |
Judith Alice Brown, David E. Kittell, Mitchell A. Wood, Aidan P. Thompson, Dan S. Bolintineanu |
| On-Site Speaker (Planned) |
Judith Alice Brown |
| Abstract Scope |
Energetic materials can release large amounts of stored chemical energy through exothermic, fast reactions. When exposed to shock environments, mechanical energy interacts with microstructure heterogeneities such as pores, crystal grain boundaries, and defects, that can result in hot spot formation and possible transition to detonation. To better understand microstructure dependence in the shock to detonation transition, we present a multiscale modeling study of pressed hexanitrostilbene (HNS). The continuum hydrocode CTH is used to model the shock response for an ensemble of microstructure realizations using an ab initio derived crystalline equation of state for HNS in conjunction with a rate and temperature-dependent plasticity constitutive model and temperature-dependent chemical reaction kinetics. The hydrocode simulations are directly compared to molecular dynamics (MD) simulations with a fully reactive interatomic potential to provide mechanistic detail on the local processes driving hot spot formation and insight into plastic flow mechanisms. |
| Proceedings Inclusion? |
Undecided |