scholarly journals Carbon Formation Mechanism of C2H2 in Ni-Based Catalysts Revealed by in Situ Electron Microscopy and Molecular Dynamics Simulations

ACS Omega ◽  
2019 ◽  
Vol 4 (5) ◽  
pp. 8413-8420 ◽  
Author(s):  
Chunwen Sun ◽  
Rui Su ◽  
Jian Chen ◽  
Liang Lu ◽  
Pengfei Guan
Keyword(s):  
Electron Microscopy ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Formation Mechanism ◽  
Carbon Formation ◽  
In Situ Electron Microscopy ◽  
Dynamics Simulations

scholarly journals Formation mechanism of bound rubber in elastomer nanocomposites: a molecular dynamics simulation study

RSC Advances ◽  
2018 ◽  
Vol 8 (23) ◽  
pp. 13008-13017 ◽  
Author(s):  
Jun Liu ◽  
Haixiao Wan ◽  
Huanhuan Zhou ◽  
Yancong Feng ◽  
Liqun Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Formation Mechanism ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Bound Rubber ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

The formation mechanism of the bound rubber in elastomer nanocomposites using the coarse-grained molecular-dynamics simulations.

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