Molecular dynamics simulation of the rupture mechanism in nanorod filled polymer nanocomposites

2014 ◽  
Vol 16 (34) ◽  
pp. 18483 ◽  
Author(s):  
Yangyang Gao ◽  
Jun Liu ◽  
Jianxiang Shen ◽  
Dapeng Cao ◽  
Liqun Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Polymer Nanocomposites ◽  
Dynamics Simulation ◽  
Filled Polymer ◽  
Rupture Mechanism

Molecular dynamics simulation of the conductivity mechanism of nanorod filled polymer nanocomposites

2015 ◽  
Vol 17 (35) ◽  
pp. 22959-22968 ◽  
Author(s):  
Yangyang Gao ◽  
Dapeng Cao ◽  
Jun Liu ◽  
Jianxiang Shen ◽  
Youping Wu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Aspect Ratio ◽  
Polymer Nanocomposites ◽  
Interfacial Interaction ◽  
Dynamics Simulation ◽  
Filled Polymer ◽  
Shear Field ◽  
Conductivity Mechanism ◽  
Conductive Property

We adopted molecular dynamics simulation to study the conductive property of nanorod-filled polymer nanocomposites by focusing on the effects of the interfacial interaction, aspect ratio of the fillers, external shear field, filler–filler interaction and temperature.

Molecular insights into the effect of graphene packing on mechanical behaviors of graphene reinforced cis-1,4-polybutadiene polymer nanocomposites

2017 ◽  
Vol 19 (33) ◽  
pp. 22417-22433 ◽  
Author(s):  
Yishuo Guo ◽  
Jun Liu ◽  
Youping Wu ◽  
Liqun Zhang ◽  
Zhao Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Uniaxial Tension ◽  
Polymer Nanocomposites ◽  
Chain Structure ◽  
Dynamics Simulation ◽  
Mechanical Behaviors ◽  
Structure Dynamics

We adopt molecular dynamics simulation to study the graphene packing patterns on chain structure, dynamics, uniaxial tension and visco-elastic behaviors.

Molecular dynamics simulation of dispersion and aggregation kinetics of nanorods in polymer nanocomposites

Polymer ◽  
2014 ◽  
Vol 55 (5) ◽  
pp. 1273-1281 ◽  
Author(s):  
Yangyang Gao ◽  
Jun Liu ◽  
Jianxiang Shen ◽  
Liqun Zhang ◽  
Dapeng Cao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Polymer Nanocomposites ◽  
Dynamics Simulation ◽  
Aggregation Kinetics ◽  
Kinetics Of

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.

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