Mechanism of material removal during nanofinishing of aluminium in aqueous KOH: A reactive molecular dynamics simulation study

2019 ◽  
Vol 156 ◽  
pp. 35-46 ◽  
Author(s):  
Prabhat Ranjan ◽  
R. Balasubramaniam ◽  
V.K. Jain
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Material Removal ◽  
Dynamics Simulation ◽  
Reactive Molecular Dynamics

Effects of hot spot distance on explosive ignition and reaction growth: A reactive molecular dynamics simulation study

2021 ◽  
Vol 129 (24) ◽  
pp. 245903
Author(s):  
Ruqin Liu ◽  
Shujuan Wang ◽  
Xiaona Huang ◽  
Yushi Wen ◽  
Xiaogan Dai ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Hot Spot ◽  
Dynamics Simulation ◽  
Reactive Molecular Dynamics

Effect of density on the thermal decomposition mechanism of ε-CL-20: a ReaxFF reactive molecular dynamics simulation study

2018 ◽  
Vol 20 (35) ◽  
pp. 22600-22609 ◽  
Author(s):  
Fuping Wang ◽  
Lang Chen ◽  
Deshen Geng ◽  
Jianying Lu ◽  
Junying Wu
Keyword(s):  
Molecular Dynamics ◽  
Thermal Decomposition ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
High Energy ◽  
Decomposition Mechanism ◽  
Dynamics Simulation ◽  
Thermal Decomposition Mechanism ◽  
Reactive Molecular Dynamics ◽  
First Time

We used reactive molecular dynamics for the first time to study the thermal decomposition of a new high-energy explosive (CL-20) under different compressions.

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