Molecular Dynamics Simulations of Flexible Polymer Chains Wrapping Single-Walled Carbon Nanotubes

Syamal S. Tallury; Melissa A. Pasquinelli

doi:10.1021/jp908001d

Molecular Dynamics Simulations of Flexible Polymer Chains Wrapping Single-Walled Carbon Nanotubes

The Journal of Physical Chemistry B ◽

10.1021/jp908001d ◽

2010 ◽

Vol 114 (12) ◽

pp. 4122-4129 ◽

Cited By ~ 143

Author(s):

Syamal S. Tallury ◽

Melissa A. Pasquinelli

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Polymer Chains ◽

Single Walled Carbon ◽

Flexible Polymer ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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On the wrapping of poly(phenylacetylene), polystyrene sulfonate and polyvinyl pyrrolidone polymer chains around single-walled carbon nanotubes using molecular dynamics simulations

Fibers and Polymers ◽

10.1007/s12221-014-1123-x ◽

2014 ◽

Vol 15 (6) ◽

pp. 1123-1128 ◽

Cited By ~ 10

Author(s):

S. Rouhi ◽

Y. Alizadeh ◽

R. Ansari

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Polymer Chains ◽

Polyvinyl Pyrrolidone ◽

Polystyrene Sulfonate ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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Molecular Dynamics Simulations of Polymers with Stiff Backbones Interacting with Single-Walled Carbon Nanotubes

The Journal of Physical Chemistry B ◽

10.1021/jp101191j ◽

2010 ◽

Vol 114 (29) ◽

pp. 9349-9355 ◽

Cited By ~ 88

Author(s):

Syamal S. Tallury ◽

Melissa A. Pasquinelli

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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On the interfacial characteristics of polyethylene/single-walled carbon nanotubes using molecular dynamics simulations

Applied Surface Science ◽

10.1016/j.apsusc.2013.12.087 ◽

2014 ◽

Vol 292 ◽

pp. 958-970 ◽

Cited By ~ 31

Author(s):

S. Rouhi ◽

Y. Alizadeh ◽

R. Ansari

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes ◽

Interfacial Characteristics

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Molecular dynamics simulations of the polymer/amine functionalized single-walled carbon nanotubes interactions

Applied Surface Science ◽

10.1016/j.apsusc.2018.04.133 ◽

2018 ◽

Vol 455 ◽

pp. 171-180 ◽

Cited By ~ 11

Author(s):

R. Ansari ◽

S. Rouhi ◽

S. Ajori

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Amine Functionalized ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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The melting and freezing of KI nanoparticles confined within zigzag single-walled carbon nanotubes based on molecular dynamics simulations

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.12.019 ◽

2012 ◽

Vol 983 ◽

pp. 38-44 ◽

Cited By ~ 2

Author(s):

Yin Wang ◽

Jingling Shao ◽

Xiaolei Zhu

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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Mechanical characteristics of graphene nanoribbons encapsulated in single-walled carbon nanotubes using molecular dynamics simulations

Applied Surface Science ◽

10.1016/j.apsusc.2015.07.210 ◽

2015 ◽

Vol 356 ◽

pp. 221-225 ◽

Cited By ~ 20

Author(s):

Te-Hua Fang ◽

Win-Jin Chang ◽

Yu-Lun Feng

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Mechanical Characteristics ◽

Graphene Nanoribbons ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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Numerical distortion and effects of thermostat in molecular dynamics simulations of single-walled carbon nanotubes

Chinese Physics B ◽

10.1088/1674-1056/17/11/049 ◽

2008 ◽

Vol 17 (11) ◽

pp. 4253-4259 ◽

Cited By ~ 6

Author(s):

Li Rui ◽

Hu Yuan-Zhong ◽

Wang Hui ◽

Zhang Yu-Jun

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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Molecular Dynamics Simulations Studies of Triton Surfactant-Wrapped Single-Walled Carbon Nanotubes Surface

Journal of Advanced Physics ◽

10.1166/jap.2016.1251 ◽

2016 ◽

Vol 5 (2) ◽

pp. 129-133 ◽

Cited By ~ 8

Author(s):

S. Mahmood Fatemi Sh. ◽

Masumeh Foroutan

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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Molecular dynamics simulations of heat transfer of single walled carbon nanotubes

The Proceedings of The Computational Mechanics Conference ◽

10.1299/jsmecmd.2004.17.533 ◽

2004 ◽

Vol 2004.17 (0) ◽

pp. 533-534

Author(s):

Junishiro SHIOMI ◽

Yasuhiro IGARASHI ◽

Shigeo MARUYAMA

Keyword(s):

Heat Transfer ◽

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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Molecular Dynamics Simulations and Band Structure Analyses on Deformation of Single-Walled Carbon Nanotubes

The proceedings of the JSME annual meeting ◽

10.1299/jsmemecjo.2003.6.0_37 ◽

2003 ◽

Vol 2003.6 (0) ◽

pp. 37-38

Author(s):

Yoshitaka UMENO ◽

Akihiro KUSHIMA ◽

Takayuki KITAMURA

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Band Structure ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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