CL-20热分解反应机理的ReaxFF分子动力学模拟
Reaction Mechanisms in the Thermal Decomposition of CL-20 Revealed by ReaxFF Molecular Dynamics Simulations
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 2 Temporal evolution of CL-20 and main intermediate species and the time for their first appearing during thermolysis of CL-20 obtained in ReaxFF MD simulation at 3000 K. (a) for 50 ps, (b) for 500 ps. |
|
|