|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Dynamic Behavior of Materials VIII
||Hotspots in High-energy Density Materials: The Role of Non-equilibrium Loading in Reactivity
||Michael Sakano, Mahbub Islam, Brenden Hamilton, Alejandro Strachan
|On-Site Speaker (Planned)
We use molecular dynamics (MD) with the reactive force field ReaxFF to study the underlying physics behind the reactivity of hotspots in the high-energy material RDX. Our prior work showed that hotspots resulting from dynamical collapse of voids following shock loading were significantly more reactive than thermally generated hotspots with identical size and thermodynamic conditions. In this work, we characterized the relative reactivity of amorphous and crystalline RDX under homogeneous heating and under temperature gradients. For homogeneous heating, amorphous RDX is slightly more reactive than crystalline RDX, especially at low temperatures. In addition, our simulations of the chemical reactivity of planar and cylindrical hotspots of various sizes and temperatures also show similar trends. However, the difference in reactivity is not significant enough to explain the dynamical simulations. We will also present results showing how a lack of local thermal equilibrium could explain the reactivity of the dynamical hotspots.
||Planned: Supplemental Proceedings volume