冲击波加载下含能材料FOX-7分子结构响应机制的研究

1,1-二氨基-2,2-二硝基乙烯（FOX-7）与三硝基甲苯（TNT）等传统猛炸药相比，具有感度低、能量高的优点，在新型低感弹药领域有着良好的应用前景。然而，当前对FOX-7在冲击波作用下的分子结构响应机制尚不明确。本项目拟在提高拉曼光谱技术的同步控制精度和散射光接收效率的基础上，以轻气炮作为冲击波加载手段，采用瞬态拉曼光谱技术、冲击辐射光谱技术以及第一性原理计算方法对FOX-7在冲击波下的微观结构变化展开研究。首先，研究不同冲击压力对未反应体系分子的化学键、官能团及非键相互作用的影响，明确分子构型对压力的依赖关系；其次，捕获冲击起爆过程中离解产物的拉曼光谱，辨别产物成分，揭示冲击压力对FOX-7分子结构及化学稳定性的影响机制，进而建立从分子结构畸变到化学键裂解的结构演化新模型。本项目不仅能够促进对炸药冲击起爆机理的研究，对推动FOX-7基高聚物粘结炸药的研发也具有重要意义。

Compared with traditional explosives such as trinitrotoluene (TNT) and so on, 1, 1-Diamino-2, 2-dinitroethene (FOX-7) has the advantages of low sensitivity and high performance, which show potential for insensitivity munitions applications. However, the shock-compressed structural response of FOX-7 is not fully revealed. In this project, after improving the precision of time control and reception efficiency of Raman spectra, the transient Raman spectrum, emission spectrum and first principles calculations are employed to investigate the structural change of FOX-7 under shock compression. Firstly, the effects of shock pressures on the chemical bonds, functional groups and non-bond interactions of unreacted FOX-7 are studied to illustrate the evolution of the molecular geometry. Secondly, the Raman spectra of the dissociated products in the run-up to detonation are captured to reveal the mechanism of shock pressure effects on the structural and chemical stability. And then a new microstructure evolution model from molecular structural distortion to chemical bond decay is established. This project can not only promote the research of shock initiation mechanism, but also accelerate development of FOX-7 based polymer bonded explosives.