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 |
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Reaction Mechanisms in the Thermal Decomposition of CL-20 Revealed by ReaxFF Molecular Dynamics Simulations |
| Chunxing REN,Xiaoxia LI,Li GUO |
| Fig 3 Evolution of intermediates during the thermolysis simulations of CL-20 at temperatures of 800–3000 K obtained by ReaxFF MD. (a) NO2, (b) NO3, (c) NO, (d) N2O. |
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