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8350745 
Journal Article 
冲击作用下CL-20/HMX共晶力-热-化学耦合响应的动力学模拟 
Wang, N; Su, J; Guan, HB; Cheng, J; Cheng, LG; Li, J 
2021 
1 
Hanneng Cailiao / Chinese Journal of Energetic Materials
ISSN: 1006-9941 
Institute of Chemical Materials, China Academy of Engineering Physics 
29 
4 
315-324 
Chinese 
In order to analyze the mechanism of shock sensitivity of CL-20/HMX cocrystal close to that of HMX, ReaxFF molecular dynamics simulation was used to investigate the mechanical-thermal structural changes and subsequent initial chemical reactions in CL-20/HMX cocrystals with or without voids. The structural deformation and subsequent chemical reaction process are effectively analyzed by using the momentum mirror model combined with shock-front absorbing boundary condition. When shocks subjected to CL-20, HMX, and CL-20/HMX, it is found that the decomposition speed of CL-20 is faster than that of HMX, while CL-20/HMX's decomposition speed is very close to HMX's. Besides, the decomposition speed of CL-20/HMX [100] shocks is faster than [111] shocks. This phenomenon is related to alternative arrangement of CL-20 and HMX molecular layers and the relative slip amount. When CL-20/HMX with 20 nm diameter void is shocked along the [100] direction at particle velocity of 2 km•s-1, hydrodynamic jet collapse does not occur instead of viscoplastic pore collapse. It largely promotes the rapid decomposition of CL-20 and HMX molecules in the high temperature and high pressure conditions formed by pore collapse and the viscoplastic deformation of crystal structure. A new hot spot formation from the void collapse further enhances the shock loading process. © 2021, Editorial Board of Chinese Journal of Energetic Materials. All right reserved. 
Crystal defect; Hexanitrohexaazaisowurtzitane/octogen (CL-20/HMX); Hot spot; Shock; Slip