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

Yangyang Gao; Dapeng Cao; Jun Liu; Jianxiang Shen; Youping Wu; Liqun Zhang

doi:10.1039/c5cp01953b

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

Physical Chemistry Chemical Physics ◽

10.1039/c5cp01953b ◽

2015 ◽

Vol 17 (35) ◽

pp. 22959-22968 ◽

Cited By ~ 19

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.

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

Physical Chemistry Chemical Physics ◽

10.1039/c4cp02431a ◽

2014 ◽

Vol 16 (34) ◽

pp. 18483 ◽

Cited By ~ 15

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

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Uniaxial deformation of nanorod filled polymer nanocomposites: a coarse-grained molecular dynamics simulation

Physical Chemistry Chemical Physics ◽

10.1039/c4cp01555j ◽

2014 ◽

Vol 16 (30) ◽

pp. 16039 ◽

Cited By ~ 27

Author(s):

Yangyang Gao ◽

Jun Liu ◽

Jianxiang Shen ◽

Liqun Zhang ◽

Zhanhu Guo ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer Nanocomposites ◽

Dynamics Simulation ◽

Coarse Grained ◽

Uniaxial Deformation ◽

Filled Polymer ◽

Coarse Grained Molecular Dynamics

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Coarse-Grained Molecular Dynamics Simulation of Filled Polymer Nanocomposites under Uniaxial Elongation

Macromolecules ◽

10.1021/acs.macromol.5b02799 ◽

2016 ◽

Vol 49 (5) ◽

pp. 1972-1983 ◽

Cited By ~ 47

Author(s):

Katsumi Hagita ◽

Hiroshi Morita ◽

Masao Doi ◽

Hiroshi Takano

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer Nanocomposites ◽

Dynamics Simulation ◽

Coarse Grained ◽

Filled Polymer ◽

Uniaxial Elongation ◽

Coarse Grained Molecular Dynamics

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Optimizing the electrical conductivity of polymer nanocomposites under the shear field by hybrid fillers: Insights from molecular dynamics simulation

Polymer ◽

10.1016/j.polymer.2019.02.028 ◽

2019 ◽

Vol 168 ◽

pp. 138-145 ◽

Cited By ~ 10

Author(s):

Xiaohui Duan ◽

Huan Zhang ◽

Jun Liu ◽

Yangyang Gao ◽

Xiuying Zhao ◽

...

Keyword(s):

Molecular Dynamics ◽

Electrical Conductivity ◽

Molecular Dynamics Simulation ◽

Polymer Nanocomposites ◽

Dynamics Simulation ◽

Shear Field ◽

Hybrid Fillers

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Dispersion and shear-induced orientation of anisotropic nanoparticle filled polymer nanocomposites: insights from molecular dynamics simulation

Nanotechnology ◽

10.1088/0957-4484/27/26/265704 ◽

2016 ◽

Vol 27 (26) ◽

pp. 265704 ◽

Cited By ~ 8

Author(s):

Zijian Zheng ◽

Zixuan Wang ◽

Lu Wang ◽

Jun Liu ◽

Youping Wu ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer Nanocomposites ◽

Dynamics Simulation ◽

Filled Polymer

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Molecular dynamics simulation study of a fracture of filler-filled polymer nanocomposites

Polymer ◽

10.1016/j.polymer.2016.07.030 ◽

2016 ◽

Vol 99 ◽

pp. 368-375 ◽

Cited By ~ 33

Author(s):

Katsumi Hagita ◽

Hiroshi Morita ◽

Hiroshi Takano

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer Nanocomposites ◽

Simulation Study ◽

Dynamics Simulation ◽

Filled Polymer

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A molecular dynamics simulation study of the viscoelastic properties of polymer nanocomposites

The Journal of Chemical Physics ◽

10.1063/1.1516589 ◽

2002 ◽

Vol 117 (20) ◽

pp. 9478-9489 ◽

Cited By ~ 193

Author(s):

Grant D. Smith ◽

Dmitry Bedrov ◽

Liwei Li ◽

Oleksiy Byutner

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer Nanocomposites ◽

Simulation Study ◽

Viscoelastic Properties ◽

Dynamics Simulation

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Molecular dynamics simulation on interfacial mechanical properties of polymer nanocomposites with wrinkled graphene

Computational Materials Science ◽

10.1016/j.commatsci.2015.06.023 ◽

2015 ◽

Vol 108 ◽

pp. 160-167 ◽

Cited By ~ 68

Author(s):

Feng Liu ◽

Ning Hu ◽

Huiming Ning ◽

Yaolu Liu ◽

Yuan Li ◽

...

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer Nanocomposites ◽

Dynamics Simulation

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Multiscale modeling of nano-SiO2 deposited on jute fibers via macroscopic evaluations and the interfacial interaction by molecular dynamics simulation

Composites Science and Technology ◽

10.1016/j.compscitech.2019.107987 ◽

2020 ◽

Vol 188 ◽

pp. 107987

Author(s):

Xuan Liu ◽

Yihua Cui ◽

Stephen K.L. Lee ◽

Miao Zhang ◽

Wenjun Nie

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Multiscale Modeling ◽

Interfacial Interaction ◽

Dynamics Simulation ◽

Nano Sio2 ◽

Jute Fibers

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Estimating interfacial interaction energy of Cu-epoxy resin from molecular dynamics simulation

Electronic Materials Letters ◽

10.1007/s13391-013-3197-9 ◽

2014 ◽

Vol 10 (3) ◽

pp. 535-539 ◽

Cited By ~ 3

Author(s):

Dong rong Xin ◽

Qiang Han

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Epoxy Resin ◽

Interaction Energy ◽

Interfacial Interaction ◽

Dynamics Simulation

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