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含能材料感度判别理论研究——从分子、晶体到复合材料

肖鹤鸣 朱卫华 肖继军 王桂香 裴晓琴

含能材料2012,Vol.20Issue(5):514-527,14.
含能材料2012,Vol.20Issue(5):514-527,14.DOI:10.3969/j.issn.1006-9941.2012.05.002

含能材料感度判别理论研究——从分子、晶体到复合材料

Theoretical Studies on Sensitivity Criterion of Energetic Materials——From molecules, crystals, to composite materials

肖鹤鸣 1朱卫华 1肖继军 1王桂香 1裴晓琴1

作者信息

  • 1. 南京理工大学化工学院分子与材料计算研究所,江苏南京210094
  • 折叠

摘要

Abstract

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.

关键词

量子化学/含能材料/热解机理/感度/分子动力学

Key words

quantum chemistry/ energetic materials/ thermal decomposition mechanism/ sensitivity/ quantum chemistry/ molecular dynamics

分类

军事科技

引用本文复制引用

肖鹤鸣,朱卫华,肖继军,王桂香,裴晓琴..含能材料感度判别理论研究——从分子、晶体到复合材料[J].含能材料,2012,20(5):514-527,14.

基金项目

国家自然科学基金(10576016,10576030,10876013)、国家安全重大基础研究项目(973-61337,61340,61339,61342)、国防工业技术发展项目(B1520110002)和中物院冲击波物理和爆轰物理重点实验室项目(076100-1197F) (10576016,10576030,10876013)

含能材料

OA北大核心CSCDCSTPCD

1006-9941

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