HNS/EP 35 PBXs力学性能的分子动力学模拟
Molecular dynamics simulation of mechanical properties of HNS/EP 35PBXs
作者：陈芳(中北大学化工与环境学院)；王建龙(中北大学化工与环境学院)；陈丽珍(中北大学化工与环境学院)；段美玲(中北大学理学院,)；李连兄(中北大学化工与环境学院)；曾祥敏(中北大学化工与环境学院)
Author：CHEN Fang(School of Chemical Engineering and Environment, North University of China,)；WANG Jian-Long(School of Chemical Engineering and Environment, North University of China,)；CHEN Li-Zhen(School of Chemical Engineering and Environment, North University of China,)；DUAN Mei-Ling(School of Science, North University of China)；LI Lian-Xiong(School of Chemical Engineering and Environment, North University of China,)；ZENG Xiang-Min(School of Chemical Engineering and Environment, North University of China,)
收稿日期：2014-11-02 年卷（期）页码：2015,52(4):860-864
期刊名称：四川大学学报: 自然科学版
Journal Name：Journal of Sichuan University (Natural Science Edition)
关键字：HNS/EP 35; 高聚物粘结炸药(PBXs); 分子动力学(MD); 力学性能
Key words：HNS/EP 35; Plastic bonded explosive; Molecular dynamics; Mechanical property
基金项目：国家自然科学基金 (11447219)；山西省基础研究计划项目(青年)基金 (2013021010-4)
中文摘要
本文应用分子动力学(MD)模拟方法, 研究耐热炸药六硝基茋(HNS)与常用高聚物粘结剂三元乙丙橡胶(EP 35型)所构成的HNS/EP 35高聚物粘结炸药(PBXs)的力学性能随温度和高聚物浓度而变化的规律. 结果表明, 添加高聚物于主体炸药中, 拉伸模量和剪切模量减小, 表明刚性减小, 弹性增大; 为考察温度对力学性能的影响及机理, 在298K~550K范围完成对HNS/EP 35 PBX的MD模拟. 力学分析表明, 随温度增加HNS/EP 35的弹性模量呈抛物线变化规律, 归因于EP 35分子链的运动及其构象随温度的变化.
英文摘要
Molecular simulation was applied to investigate the effects of polymer concentration and temperature on the mechanical properties of polymer bonded explosives (PBXs) which were made from the heat resistant explosive Hexanitrostilbene (HNS) as a base and EP 35 as a binder. The results show that when the polymer is added to base explosive, the tensile and shear modulus are reduced, which suggests the reduction at rigidity and enhancement at elasticity for HNS. The mechanical properties of HNS/EP 35 were investigated at the temperature from 298K to 550K. It is indicated that the elastic moduli changes according to a parabola with the increasing temperature due to the improvement of EP 35 chain moving ability and the simultaneous increment of high energy conformation ratio in this molecular chain.
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