On the elastic properties of single-walled carbon nanotubes/poly(ethylene oxide) nanocomposites using molecular dynamics simulations

Journal of Molecular Modeling ◽

10.1007/s00894-015-2889-5 ◽

2016 ◽

Vol 22 (1) ◽

Author(s):

S. Rouhi ◽

Y. Alizadeh ◽

R. Ansari

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Ethylene Oxide ◽

Molecular Dynamics Simulations ◽

Elastic Properties ◽

Single Walled Carbon Nanotubes ◽

Poly Ethylene Oxide ◽

Poly Ethylene ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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On the Wrapping of Polyglycolide, Poly(Ethylene Oxide), and Polyketone Polymer Chains Around Single-Walled Carbon Nanotubes Using Molecular Dynamics Simulations

Brazilian Journal of Physics ◽

10.1007/s13538-014-0278-7 ◽

2014 ◽

Vol 45 (1) ◽

pp. 10-18 ◽

Author(s):

S. Rouhi ◽

Y. Alizadeh ◽

R. Ansari

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Ethylene Oxide ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Polymer Chains ◽

Poly Ethylene Oxide ◽

Poly Ethylene ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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Elastic properties and buckling behavior of single-walled carbon nanotubes functionalized with diethyltoluenediamines using molecular dynamics simulations

Superlattices and Microstructures ◽

10.1016/j.spmi.2014.11.002 ◽

2015 ◽

Vol 77 ◽

pp. 54-63 ◽

Author(s):

R. Ansari ◽

S. Ajori ◽

S. Rouhi

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Elastic Properties ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Buckling Behavior ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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Molecular Dynamics Simulations of Silica Nanoparticles Grafted with Poly(ethylene oxide) Oligomer Chains

The Journal of Physical Chemistry B ◽

10.1021/jp2112582 ◽

2012 ◽

Vol 116 (8) ◽

pp. 2385-2395 ◽

Author(s):

Bingbing Hong ◽

Athanassios Z. Panagiotopoulos

Keyword(s):

Molecular Dynamics ◽

Ethylene Oxide ◽

Molecular Dynamics Simulations ◽

Silica Nanoparticles ◽

Poly Ethylene Oxide ◽

Poly Ethylene ◽

Dynamics Simulations

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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 ◽

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 ◽

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 Poly(ethylene oxide)/LiI Melts. 1. Structural and Conformational Properties

Macromolecules ◽

10.1021/ma980838v ◽

1998 ◽

Vol 31 (23) ◽

pp. 8396-8406 ◽

Author(s):

Oleg Borodin ◽

Grant D. Smith

Keyword(s):

Molecular Dynamics ◽

Ethylene Oxide ◽

Molecular Dynamics Simulations ◽

Conformational Properties ◽

Poly Ethylene Oxide ◽

Poly Ethylene ◽

Dynamics Simulations

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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 ◽

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 ◽

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 ◽

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 ◽

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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