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

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-35PBX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.

Molecular simulation was applied to investigate the effects of polymer concentration and tem- perature 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 sug- gests 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.