近30多年来,通过量子化学计算和分子动力学模拟,国内外已提出过许多关于含能材料撞击感度的微观理论判据。本文主要介绍我们研究小组从高能分子、高能晶体到高能复合材料的热解机理和感度判别的相关工作,其中关于高能晶体和复合材料的感度判别的一些结果和判据是首次报道。
For nearly three decades, many microcosmic theoretical criterions on impact sensitivity of energetic materials at home and abroad have been suggested by using quantum chemistry calculations and molecular dynamics simulations. In this article, we mainly present some work on thermal decomposition mechanisms and sensitivity criterions of energetic molecules, crystals, and composite materials by our research group. Among them, some studies and criterions on impact sensitivity of energetic crystals and composite materials are reported for the first time.