CL-20热分解反应机理的ReaxFF分子动力学模拟
任春醒,李晓霞,郭力

Reaction Mechanisms in the Thermal Decomposition of CL-20 Revealed by ReaxFF Molecular Dynamics Simulations
Chunxing REN,Xiaoxia LI,Li GUO
Fig 6 Numbers of the initial decomposition reactions of CL-20 molecules obtained in three parallel ReaxFF MD simulations of CL-20 thermolysis at 1000–3000 K.