Tailoring Crystallinity and Nanomechanical Properties of Clay Polymer Nanocomposites: A Molecular Dynamics Study

International Journal for Multiscale Computational Engineering ◽

10.1615/intjmultcompeng.v8.i6.20 ◽

2010 ◽

Vol 8 (6) ◽

pp. 561-584 ◽

Author(s):

Debashis Sikdar ◽

Dinesh R. Katti ◽

Kalpana S. Katti ◽

Rahul Bhowmik

Keyword(s):

Molecular Dynamics ◽

Polymer Nanocomposites ◽

Nanomechanical Properties

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The role of interfacial interactions on the crystallinity and nanomechanical properties of clay–polymer nanocomposites: A molecular dynamics study

Journal of Applied Polymer Science ◽

10.1002/app.27504 ◽

2007 ◽

Vol 107 (5) ◽

pp. 3137-3148 ◽

Author(s):

Debashis Sikdar ◽

Dinesh R. Katti ◽

Kalpana S. Katti

Keyword(s):

Molecular Dynamics ◽

Polymer Nanocomposites ◽

Interfacial Interactions ◽

Nanomechanical Properties

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Fracture Behavior in Polymer Nanocomposites: A Molecular Dynamics Study

AIAA Scitech 2021 Forum ◽

10.2514/6.2021-0400 ◽

2021 ◽

Author(s):

Samit Roy ◽

Tanvir Sohail

Keyword(s):

Molecular Dynamics ◽

Polymer Nanocomposites ◽

Fracture Behavior

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Effect of graphene and carbon-nitride nanofillers on the thermal transport properties of polymer nanocomposites: A combined molecular dynamics and finite element study

Physical Review E ◽

10.1103/physreve.103.013310 ◽

2021 ◽

Vol 103 (1) ◽

Author(s):

Leila Razzaghi ◽

Maryam Khalkhali ◽

Ali Rajabpour ◽

Farhad Khoeini

Keyword(s):

Molecular Dynamics ◽

Finite Element ◽

Transport Properties ◽

Polymer Nanocomposites ◽

Thermal Transport ◽

Carbon Nitride ◽

Finite Element Study ◽

Thermal Transport Properties ◽

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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 ◽

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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Physical Origin of Distinct Mechanical Properties of Polymer Tethered Graphene Nanosheets Reinforced Polymer Nanocomposites Revealed by Nonequilibrium Molecular Dynamics Simulations

Macromolecular Theory and Simulations ◽

10.1002/mats.202100044 ◽

2021 ◽

pp. 2100044

Author(s):

Xu Zhang ◽

Jialiang Chen ◽

Tianxi Liu

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Polymer Nanocomposites ◽

Graphene Nanosheets ◽

Nonequilibrium Molecular Dynamics ◽

Physical Origin ◽

Reinforced Polymer ◽

Dynamics Simulations

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Exploring the mechanical properties of two-dimensional carbon-nitride polymer nanocomposites by molecular dynamics simulations

Composite Structures ◽

10.1016/j.compstruct.2021.115004 ◽

2021 ◽

pp. 115004

Author(s):

Qinghua Zhang ◽

Bohayra Mortazavi ◽

Xiaoying Zhuang ◽

Fadi Aldakheel

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Polymer Nanocomposites ◽

Carbon Nitride ◽

Two Dimensional ◽

Dynamics Simulations

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Confrontation between Molecular Dynamics and micromechanical approaches to investigate particle size effects on the mechanical behaviour of polymer nanocomposites

Computational Materials Science ◽

10.1016/j.commatsci.2013.07.002 ◽

2013 ◽

Vol 79 ◽

pp. 495-505 ◽

Author(s):

V. Marcadon ◽

D. Brown ◽

E. Hervé ◽

P. Mélé ◽

N.D. Albérola ◽

...

Keyword(s):

Molecular Dynamics ◽

Particle Size ◽

Polymer Nanocomposites ◽

Mechanical Behaviour ◽

Size Effects ◽

Particle Size Effects

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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 ◽

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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Effects of morphologies of carbon nanofillers on the interfacial and deformation behavior of polymer nanocomposites – A molecular dynamics study

Carbon ◽

10.1016/j.carbon.2016.06.031 ◽

2016 ◽

Vol 107 ◽

pp. 510-524 ◽

Author(s):

Y. Hu ◽

J.L. Ding

Keyword(s):

Molecular Dynamics ◽

Polymer Nanocomposites ◽

Deformation Behavior ◽

Carbon Nanofillers

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Designing high performance polymer nanocomposites by incorporating robustness-controlled polymeric nanoparticles: insights from molecular dynamics

Physical Chemistry Chemical Physics ◽

10.1039/d1cp04254h ◽

2022 ◽

Author(s):

Guangyi Hou ◽

Sai Li ◽

Jun Liu ◽

Yun-Xuan Weng ◽

Liqun Zhang

Keyword(s):

Molecular Dynamics ◽

Polymer Nanocomposites ◽

High Performance ◽

Polymeric Nanoparticles ◽

Polymer Nanoparticles ◽

Polymer Matrices ◽

Interesting Topic ◽

High Performance Polymer

Introducing polymer nanoparticles into polymer matrices is an interesting topic, and the robustness of polymeric nanoparticles is very crucial for the properties of polymer nanocomposites (PNCs). In this study, by...

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