CL-20/HMX共晶冲击起爆模拟

采用非平衡分子动力学方法模拟了CL-20/HMX共晶炸药冲击压缩和化学反应行为,获得了密度以及粒子速度的时空分布、冲击雨贡纽、冲击起爆压力、爆轰压力等数据,以及主要中间产物和稳定产物分布。模拟结果显示,共晶的初始分解路径是CL-20中N—NO₂键断裂,主要稳定产物是N₂、CO₂和H₂O。CL-20和HMX的分解速率随着冲击波速度的增加而增加,并且逐渐接近,但各冲击条件下CL-20分子的衰减速率均大于HMX。

Simulations of shock initiation of CL-20/HMX co-crystal

The shock compression and chemical reaction behaviors of CL-20/HMX energetic co-crystal explosives were simulated by nonequilibrium molecular dynamics. The spatio-temporal distributions of density, particle velocity, shock hugoniots, shock initiation pressure, and detonation pressure were obtained. The distribution of main intermediate products and the stable products were also investigated. The simulation results show that the initial reaction pathway is N—NO₂ cleavage to form NO₂ from CL-20 in co-crystal, with N₂, CO₂ and H₂O as the main products. The decomposition rate of CL-20 and HMX increases with the increase of shock wave velocity gradually, but the attenuation rate of CL-20 is higher than that of HMX under each shock condition.