Reactive Molecular Dynamics Simulations of Shock Through a Single Crystal of Pentaerythritol Tetranitrate

2009 ◽  
Vol 113 (40) ◽  
pp. 13142-13151 ◽  
Author(s):  
Joanne Budzien ◽  
Aidan P. Thompson ◽  
Sergey V. Zybin
Keyword(s):  
Molecular Dynamics ◽  
Single Crystal ◽  
Molecular Dynamics Simulations ◽  
Pentaerythritol Tetranitrate ◽  
Reactive Molecular Dynamics ◽  
Dynamics Simulations

scholarly journals Reactive molecular dynamics simulation of the high-temperature pyrolysis of 2,2′,2′′,4,4′,4′′,6,6′,6′′-nonanitro-1,1′:3′,1′′-terphenyl (NONA)

RSC Advances ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 5507-5515
Author(s):  
Liang Song ◽  
Feng-Qi Zhao ◽  
Si-Yu Xu ◽  
Xue-Hai Ju
Keyword(s):  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulation ◽  
Reactive Molecular Dynamics ◽  
Ring Compounds ◽  
Fused Ring ◽  
Dynamics Simulations

The bimolecular and fused ring compounds are found in the high-temperature pyrolysis of NONA using ReaxFF molecular dynamics simulations.

Molecular dynamics simulations of void shrinkage in γ-TiAl single crystal

2015 ◽  
Vol 107 ◽  
pp. 58-65 ◽  
Author(s):  
Xiao-Ting Xu ◽  
Fu-Ling Tang ◽  
Hong-Tao Xue ◽  
Wei-Yuan Yu ◽  
Liang Zhu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Single Crystal ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations
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