摘要
为研究表面吸附对JO-9159炸药力学性能的影响，通过MaterialsStudio软件构建了JO-9159炸药无定形六组分模型，在COMPASS力场和NPT系综下，对其（001）、（010）和（100）3种晶面的表面吸附进行了周期性分子动力学模拟；基于模型的平衡轨迹对JO-9159炸药的力学性能进行了研究。结果表明，在295K下，吸附后其各向同性增长，刚性、硬度和断裂强度减小，柔韧性增强，压缩强度降低；随着JO-9159炸药表面吸附气体分子数量的增加，体系的各向异性减小，各向同性增长，刚性、硬度和断裂强度减小，柔韧性增强，压缩强度降低；在195～395K内，随着温度的升高，表面吸附后JO-9159炸药的各向异性特征降低，各向同性特征增强，刚性、硬度和断裂强度减小，柔韧性增强，压缩强度降低。
To explore effects of surface adsorption on the mechanical properties of JO-9159 explosive,the amorphous model of six components was constructed by Materials Studio software,and the periodic molecular dynamics simulation was conducted for the(0 0 1),(0 1 0),(1 0 0)crystal surfaces of JO-9159 explosive in COMPASS force field and NPT ensemble.The mechanical properties of JO-9159 explosive were researched based on equilibrium trajectory of model.The results show that at 295 K,the isotropy of JO-9159 explosive grows,the stiffness,hardness and breaking strength decrease,the flexibility increases and compression strength decreases after surface adsorption.With increasing the number of gas molecules adsorbed on JO-9159 explosive surface,the anisotropy of JO-9159 explosive decreases and isotropy grows,the stiffness,hardness and breaking strength decrease,the flexibility increases and compression strength decreases.At the temperature ranging from 195 to 395K,with increasing the temperature,the anisotropic feature of JO-9159 explosive decreases and isotropic feature increases after adsorption,the stiffness,hardness and breaking strength decrease,the flexibility increases and compression strength decreases.
出处
《火炸药学报》
EI
CAS
CSCD
北大核心
2016年第2期80-85,共6页
Chinese Journal of Explosives & Propellants
