Polymer conformations in polymer nanocomposites containing spherical nanoparticles

Argyrios Karatrantos; Nigel Clarke; Russell J. Composto; Karen I. Winey

doi:10.1039/c4sm01980f

Polymer conformations in polymer nanocomposites containing spherical nanoparticles

Soft Matter ◽

10.1039/c4sm01980f ◽

2015 ◽

Vol 11 (2) ◽

pp. 382-388 ◽

Cited By ~ 51

Author(s):

Argyrios Karatrantos ◽

Nigel Clarke ◽

Russell J. Composto ◽

Karen I. Winey

Keyword(s):

Molecular Dynamics ◽

Percolation Threshold ◽

Molecular Dynamics Simulations ◽

Polymer Nanocomposites ◽

Polymer Melts ◽

Spherical Nanoparticles ◽

Dynamics Simulations

We investigate the effect of various spherical nanoparticles on chain dimensions in polymer melts for high nanoparticle loading which is larger than the percolation threshold, using molecular dynamics simulations.

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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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A Practical Method to Estimate Linear Viscoelasticity of Polymer Melts in Molecular Dynamics Simulations

Proceedings of the 12th Asia Pacific Physics Conference (APPC12) ◽

10.7566/jpscp.1.012039 ◽

2014 ◽

Author(s):

Nobuyuki Iwaoka ◽

Katsumi Hagita ◽

Hiroshi Takano

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Linear Viscoelasticity ◽

Polymer Melts ◽

Practical Method ◽

Dynamics Simulations

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Thermomechanical properties of mineralized nitrogen-doped carbon nanotube/polymer nanocomposites by molecular dynamics simulations

Composites Part B Engineering ◽

10.1016/j.compositesb.2019.01.002 ◽

2019 ◽

Vol 161 ◽

pp. 639-650 ◽

Cited By ~ 15

Author(s):

Chanwook Park ◽

Jiwon Jung ◽

Gun Jin Yun

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulations ◽

Polymer Nanocomposites ◽

Thermomechanical Properties ◽

Nitrogen Doped ◽

Dynamics Simulations ◽

Nitrogen Doped Carbon

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5 Molecular dynamics simulations of graphene-based polymer nanocomposites

Carbon-Based Smart Materials ◽

10.1515/9783110479133-005 ◽

2020 ◽

pp. 115-152

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Polymer Nanocomposites ◽

Dynamics Simulations

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Nanoparticle diffusion in polymer melts: Molecular dynamics simulations and mode-coupling theory

The Journal of Chemical Physics ◽

10.1063/5.0005301 ◽

2020 ◽

Vol 152 (23) ◽

pp. 234902

Author(s):

Hristina Popova ◽

Sergei A. Egorov ◽

Andrey Milchev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Mode Coupling ◽

Polymer Melts ◽

Coupling Theory ◽

Mode Coupling Theory ◽

Nanoparticle Diffusion ◽

Dynamics Simulations

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Molecular dynamics simulations of the glass transition in polymer melts

Polymer ◽

10.1016/j.polymer.2004.01.079 ◽

2004 ◽

Vol 45 (11) ◽

pp. 3901-3905 ◽

Cited By ~ 14

Author(s):

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Molecular Dynamics Simulations ◽

Polymer Melts ◽

Dynamics Simulations

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Primitive Path Identification and Statistics in Molecular Dynamics Simulations of Entangled Polymer Melts

Macromolecules ◽

10.1021/ma050347s ◽

2005 ◽

Vol 38 (13) ◽

pp. 5761-5765 ◽

Cited By ~ 54

Author(s):

Qiang Zhou ◽

Ronald G. Larson

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Polymer Melts ◽

Entangled Polymer ◽

Entangled Polymer Melts ◽

Dynamics Simulations

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Exploration of conformational phase space in polymer melts: A comparison of parallel tempering and conventional molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.1386781 ◽

2001 ◽

Vol 115 (3) ◽

pp. 1121-1124 ◽

Cited By ~ 18

Author(s):

Dmitry Bedrov ◽

Grant D. Smith

Keyword(s):

Molecular Dynamics ◽

Phase Space ◽

Molecular Dynamics Simulations ◽

Polymer Melts ◽

Parallel Tempering ◽

Dynamics Simulations

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Estimation of Relaxation Modulus of Polymer Melts by Molecular Dynamics Simulations: Application of Relaxation Mode Analysis

Journal of the Physical Society of Japan ◽

10.7566/jpsj.84.044801 ◽

2015 ◽

Vol 84 (4) ◽

pp. 044801 ◽

Cited By ~ 9

Author(s):

Nobuyuki Iwaoka ◽

Katsumi Hagita ◽

Hiroshi Takano

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Polymer Melts ◽

Relaxation Modulus ◽

Mode Analysis ◽

Relaxation Mode ◽

Dynamics Simulations

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