In the niche area of energetic materials, a balance between energy and safety is extremely important. To address this “energy–safety contradiction”, energetic cocrystals have been introduced. The investigation of the synthesis methods, characteristics, and efficacy of energetic cocrystals is of the utmost importance for optimizing their design and development. This review covers (i) various synthesis methods for energetic cocrystals; (ii) discusses their characteristics such as structural properties, detonation performance, sensitivity analysis, thermal properties, and morphology mapping, along with other properties such as oxygen balance, solubility, and fluorescence; and (iii) performance with respect to energy contents (detonation velocity and pressure) and sensitivity. This is followed by concluding remarks together with future perspectives.

Studying the chemical reactions of hexanitrohexaazaisowurtzitane (CL-20) under heat and shock is helpful to understand its sensitivity and shock initiation mechanism. In this work, several molecular dynamics simulations were performed under three different conditions: high temperature, high temperature and pressure, and shock. The formation and breakage of chemical bonds, changes of bond lengths, and initial reactions were analysed. It was found that the main small-molecule product of CL-20 during initial decomposition under the three different conditions was always NO₂, but the generation pathways were different. At high temperatures, NO₂ was generated by the direct cleavage of N–NO₂ bonds. In contrast, high pressure and shock promoted the transfer of O atoms to N atoms connected to NO₂, leading to the breakage of N–NO₂ bonds. Almost all NO₂ originated from the transfer of O atoms under the shock conditions.

Compression of unmagnetized Nd₂Fe₁₄B permanent magnets is executed by using shock waves with different pressures in a one-stage light gas gun system. The microstructure, crystal structure, and magnetic properties of the magnets are examined with scanning electronic microscopy, x-ray diffraction, hysteresis loop instruments, and a vibrating sample magnetometer, respectively. The NdFeB magnets display a demagnetization phenomenon after shock wave compression. The coercivity dropped from about 21.4 kOe to 3.2 kOe. The critical pressure of irreversible demagnetization of NdFeB magnets should be less than 4.92 GPa. The coercivity of the NdFeB magnets compressed by shock waves could be recovered after annealing at 900°C and 520°C for 2 h, sequentially. The chaotic orientation of Nd₂Fe₁₄B grains in the compressed magnets is the source of demagnetization.