RDX和HMX晶体力学性能的分子动力学模拟及其撞击加载响应

用分子动力学模拟方法研究了RDX和HMX晶体的力学性能。用撞击加载实验、激光粒度仪和扫描电子显微镜分析了两种晶体的破碎特性。结果表明: HMX晶体的弹性系数和模量计算值大于RDX晶体, RDX晶体的延展性好于HMX晶体。在相同撞击加载条件下,RDX和HMX晶体均发生塑性形变和脆性断裂,但前者以塑性形变为主,而后者以脆性断裂为主,且破碎程度更加显著。评价不同炸药晶体力学性能间差异性的分子动力学模拟方法具有较高的准确度和有效性。

Molecular Dynamics Simulation on Mechanical Properties of RDX and HMX Crystals and Their Impacting Load Response

The mechanical properties of RDX and HMX crystals were investigated by using molecular dynamics simulation method. The fracture properties of the crystals were analyzed with impact test, laser diffraction size analyzer and scanning electron microscope. The results show that the calculated elastic constants and modulus of HMX crystals are higher than those of RDX crystals. The ductibility of RDX crystals is better than that of HMX crystals.Under the same impact condition, both the plastic deformation and fragmentation appear in crystals. The plastic deformation is preponderant in RDX crystals, and the fragmentation is preponderant in HMX crystals and their fracture is much more severe. The molecular dynamics simulation on the mechanical property for different explosive crystals is accuracy and reliability.