Thermal Decomposition Mechanism of 1,3,5,7-Tetranitro-1,3,5,7-tetrazocane Accelerated by Nano-Aluminum Hydride (AlH3): ReaxFF-Lg Molecular Dynamics Simulation

• Ying Zhao,
• Zheng Mei,
• Feng-Qi Zhao,
• Si-Yu Xu,
• Xue-Hai Ju

Affiliations

Ying Zhao

Key Laboratory of Soft Chemistry and Functional Materials of MOE, School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing, P. R. China

Zheng Mei

Key Laboratory of Soft Chemistry and Functional Materials of MOE, School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing, P. R. China

Feng-Qi Zhao

Science and Technology on Combustion and Explosion Laboratory, Xian Modern Chemistry Research Institute, Xian, P. R. China

Si-Yu Xu

Science and Technology on Combustion and Explosion Laboratory, Xian Modern Chemistry Research Institute, Xian, P. R. China

Xue-Hai Ju

Key Laboratory of Soft Chemistry and Functional Materials of MOE, School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing, P. R. China