Mechanical behaviors of CL-20 under an impact loading: A molecular dynamics study

S Wu and ZJ Lu and LC Bai, JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 129, 108733 (2024).

DOI: 10.1016/j.jmgm.2024.108733

Study on the dynamic process of CL-20 crystal under impact is critical for the safe utilization of energetic materials under extreme conditions. Herein, the mechanical and structural evolution of CL-20 under the impact of a diamond ball is investigated by using molecular dynamics simulation. The considerations are given to the effect of different impact velocity, impact direction and impact angle. It is found that a high impact velocity results in a large indentation depth and force, as well as more significant energy transition and the formation of a large number of molecular fragments. Moreover, CL-20 exhibits weak anisotropy along different impact directions due to the crystalline distribution anisotropy. Furthermore, the mechanical response of CL-20 is angle-dependent, which is caused by the discrepancy in local molecular re-arrangement. These results may enhance the understanding of the mechanical behavior of CL-20 and promote its wide applications.

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