Carbon-rich Clusters and Graphite-like Structure Formation during Early Detonation of 2, 4, 6-Trinitrotoluene (TNT) via Molecular Dynamics Simulation
- Corresponding author: He Yuanhang, heyuanhang@bit.edu.cn
Citation: Zhang Yaping, Yang Zhen, Li Qikai, He Yuanhang. Carbon-rich Clusters and Graphite-like Structure Formation during Early Detonation of 2, 4, 6-Trinitrotoluene (TNT) via Molecular Dynamics Simulation[J]. Acta Chimica Sinica, ;2018, 76(7): 556-563. doi: 10.6023/A18040153
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Only carbon structures at (a) initial system, (b) T=3000 K, 50 ps, (c) 50 K/ps, 104 ps, (d) 10 K/ps, 270 ps; (e) graphite-like structures, (f~h) the details of graphite-like structures
The number of clusters is uniformly divided by 10
C, H, O, N are presented by grey, white, red and blue balls, respectively