Shi Yunfeng, Brenner Donald W
Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27587-7907, USA.
J Phys Chem B. 2008 Nov 27;112(47):14898-904. doi: 10.1021/jp805690w.
Molecular dynamics simulations are used to model the shock loading of an interface with various degrees of nanometer scale faceting between an inert binder and an energetic crystal. The facets create regions of local compression that induce exothermic reaction that leads to local hotspots and an increased shock sensitivity to detonation. Two mechanisms for compression and hotspot formation are identified that depend on the shock impedance mismatch between the binder and energetic crystal, namely shock focusing and local compression of the facets. These results provide a possible explanation for why spherical RDX crystals in cast polymer-bonded explosives appear less shock sensitive than RDX with more faceted morphologies.
分子动力学模拟用于对惰性粘结剂和含能晶体之间具有不同纳米尺度刻面程度的界面的冲击加载进行建模。这些刻面形成局部压缩区域，引发放热反应，导致局部热点，并增加对爆轰的冲击敏感度。确定了两种压缩和热点形成机制，它们取决于粘结剂和含能晶体之间的冲击阻抗失配，即冲击聚焦和刻面的局部压缩。这些结果为铸装聚合物粘结炸药中的球形RDX晶体为何比具有更多刻面形态的RDX对冲击的敏感度更低提供了一种可能的解释。
