Hugoniot curve calculation of nitromethane decomposition mixtures: A reactive force field molecular dynamics approach*
Guo Fenga),b), Zhang Hongd), Hu Hai-Quana),b), Cheng Xin-Luc), Zhang Li-Yane)
       
(a) The unit-cell of the NM crystal. (b) Atomic configuration of molecular fragments of decomposition products from SCC-DFTB simulations. (c) Super-cell of molecular fragments of decompositions of NM.