A theoretical study on the decomposition of TKX-50 with different vacancy defect concentrations under shock wave loading - Yang, Jun-qing; Guo, Zhi-wei; Wang, Xiao-he; Hao, Ga-zi; Hu, Yu-bing; Feng, Xiao-jun; Guo, Rui; Jiang, Wei (Energetic materials frontiers, 2025)
Keywords: Ab initio molecular dynamics; Dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50); Multiscale shock technique; Shock wave loading; Vacancy defect; Ab initio molecular dynamics; Dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50); Shock wave loading; Multiscale shock technique; Vacancy defect