含能材料2018，Vol.26Issue(1)：21-33,13.DOI:10.11943/j.issn.1006-9941.2018.01.003
含能材料的相变研究进展
Review on the Phase Transition of Energetic Materials
摘要
Abstract
We reviewed the methods usually applied to the phase transition of energetic materials.Meanwhile,we introduced the commonly used experimental techniques of thermal analysis,ultrahigh pressure and impact loading,as well as many first-principle methods and molecular dynamics theoretical simulation methods,with their application scopes.Furthermore,the multiphase structures of nitramines,nitrides,nitrates,azoles and furazanes,as well as cage-like energetic materials under high temperature and pressure were summarized.The molecular configurations and crystal structures of these energetic materials (including partially mixed explosives) in different phases are introduced.Moreover,the phase transition characteristics and corresponding phase distributions of some materials under static and shock loading conditions are summarized too.The phase transition mechanisms revealed by high-precision theoretical simulations of some common energetic materials were reviewed.It should be noted that some results of phase transition points of energetic materials with several complicated phase transition mechanisms are inconsistent with one another.For example,the crystal and molecular structures of some phases of PETN differ one another in different reports.Finally,we found that the profound theoretical mechanism of large amounts of phase transitions is not sufficiently revealed,and the microscopic mechanism of the phase transition of mixed explosives remains lack.关键词
含能材料/相变/晶体结构/第一性原理Key words
energetic materials/phase transformation/crystal structure/first-principle分类
军事科技引用本文复制引用
徐维森,袁姣楠,张秀清,胡燕飞,田馨,任海超,姬广富,赵锋..含能材料的相变研究进展[J].含能材料,2018,26(1):21-33,13.基金项目
国家自然科学基金委员会与中国工程物理研究院联合基金(U1430117,U1230201),科学挑战计划基金(TZ2016001),国家自然科学基金(11174201,11572160) （U1430117,U1230201）
