scholarly journals Molecular Dynamics Simulation of Diffusion and Electrical Conductivity in Montmorillonite Interlayers

2016 ◽  
Vol 120 (3) ◽  
pp. 1640-1649 ◽  
Author(s):  
J. A. Greathouse ◽  
R. T. Cygan ◽  
J. T. Fredrich ◽  
G. R. Jerauld
Keyword(s):  
Molecular Dynamics ◽  
Electrical Conductivity ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation

Molecular dynamics simulation of the electrical conductive network formation of polymer nanocomposites by utilizing diblock copolymer-mediated nanoparticles

Soft Matter ◽  
2019 ◽  
Vol 15 (31) ◽  
pp. 6331-6339 ◽  
Author(s):  
Yangyang Gao ◽  
Xiaohui Duan ◽  
Peng Jiang ◽  
Huan Zhang ◽  
Jun Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electrical Conductivity ◽  
Molecular Dynamics Simulation ◽  
Polymer Nanocomposites ◽  
Diblock Copolymer ◽  
Network Formation ◽  
Dynamics Simulation ◽  
Conductive Network ◽  
High Electrical Conductivity ◽  
Simple Method

It is a simple method to utilize diblock copolymer-mediated nanoparticles to control the conductive network formation, which can help to design the nanocomposites with the high electrical conductivity, especially the anisotropy.

Molecular dynamics simulation of the electrical conductive network formation of polymer nanocomposites with polymer-grafted nanorods

2018 ◽  
Vol 20 (34) ◽  
pp. 21822-21831 ◽  
Author(s):  
Fanzhu Li ◽  
Xiaohui Duan ◽  
Huan Zhang ◽  
Bin Li ◽  
Jun Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electrical Conductivity ◽  
Molecular Dynamics Simulation ◽  
Polymer Nanocomposites ◽  
Network Formation ◽  
Dynamics Simulation ◽  
Conductive Network ◽  
Effective Strategy ◽  
High Electrical Conductivity ◽  
And Control

Grafting chains on the surface of a filler is an effective strategy to tune and control the filler conductive network, which can be utilized to fabricate polymer nanocomposites (PNCs) with high electrical conductivity.

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