Investigation of electronic and vibrational properties of dihydroxylammonium 5, 5′-bistetrazole-1, 1′-diolate under high-pressure conditions
J Fan, Y Su, J Zhao - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Dihydroxylammonium 5, 5′-bistetrazole-1, 1′-diolate (TKX-50), a newly found ionic
energetic material with excellent performance and low sensitivity, has attracted much …
energetic material with excellent performance and low sensitivity, has attracted much …
Temperature-dependent Raman spectroscopy and thermodynamic behaviors of energetic NTO crystal
The vibrational and thermodynamic properties of energetic materials (EMs) are critical to
understand their structure responses at finite temperature. In this work, the zero-point energy …
understand their structure responses at finite temperature. In this work, the zero-point energy …
[HTML][HTML] Evolution of molecular structure of TATB under shock loading from transient Raman spectroscopic technique
H Kang, X Yang, W Yuan, L Yang, X Li, F Liu, Z Liu… - Defence …, 2024 - Elsevier
By combination of the transient Raman spectroscopic measurement and the density
functional theoretical calculations, the structural evolution and stability of TATB under shock …
functional theoretical calculations, the structural evolution and stability of TATB under shock …
[HTML][HTML] Uniaxial compression behavior and spectroscopic properties of energetic 1, 1-diamino-2, 2-dinitroethylene (FOX-7) crystals from density functional theory …
Y Su, J Fan, Z Zheng, J Zhao - Progress in Natural Science: Materials …, 2019 - Elsevier
Using dispersion-corrected density functional theory (DFT), we investigate the effect of
uniaxial compression on 1, 1-diamino-2, 2-dinitroethene (FOX-7) crystal. Principal and shear …
uniaxial compression on 1, 1-diamino-2, 2-dinitroethene (FOX-7) crystal. Principal and shear …
Advances of high-temperature and high-pressure physical properties and experimental technology on high-energy insensitive explosive TATB
SUN Xiaoyu, L Wentao, LI Xiangdong, GAO Chan… - 高压物理学报, 2022 - gywlxb.cn
Abstract TATB (1, 3, 5-triamino-2, 4, 6-trinitrobenzene), as one of the typical high-energy
insensitive explosives, has important research value in national defense and military …
insensitive explosives, has important research value in national defense and military …
[PDF][PDF] 几种典型含能材料光激发解离的含时密度泛函理论研究
赵嘉琳， 程开， 于雪克， 赵纪军， 苏艳 - 物理学报, 2021 - wulixb.iphy.ac.cn
硝基类炸药作为主要的含能材料在极端条件下引爆可释放巨大能量, 深入研究硝基类炸药光激发
后的载流子动力学过程, 将有助于揭示含能材料复杂的超快爆轰物理机制 …
后的载流子动力学过程, 将有助于揭示含能材料复杂的超快爆轰物理机制 …
Theorectical Studies on Surface-Induced Energetic, Electronic, and Vibrational Properties of Triamino-trinitrobenzene Nanoparticles
Z Liu, W Zhu - Journal of Cluster Science, 2021 - Springer
The energetics, electronic features, and vibrational properties of a series of triamino-
trinitrobenzene (TATB) nanoparticles (NPs) were investigated by density functional theory …
trinitrobenzene (TATB) nanoparticles (NPs) were investigated by density functional theory …