Molecular Dynamics of Spherical Nanoparticles in Dense Polymer Melts

2014 ◽  
Vol 118 (13) ◽  
pp. 3731-3742 ◽  
Author(s):  
Alessandro Patti
Keyword(s):  
Molecular Dynamics ◽  
Polymer Melts ◽  
Spherical Nanoparticles

scholarly journals Polymer conformations in polymer nanocomposites containing spherical nanoparticles

Soft Matter ◽  
2015 ◽  
Vol 11 (2) ◽  
pp. 382-388 ◽  
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.

scholarly journals Entanglements in polymer nanocomposites containing spherical nanoparticles

Soft Matter ◽  
2016 ◽  
Vol 12 (9) ◽  
pp. 2567-2574 ◽  
Author(s):  
Argyrios Karatrantos ◽  
Nigel Clarke ◽  
Russell J. Composto ◽  
Karen I. Winey
Keyword(s):  
Molecular Dynamics ◽  
Polymer Nanocomposites ◽  
Polymer Melts ◽  
Md Simulations ◽  
Spherical Nanoparticles ◽  
Pure Polymer ◽  
Topological Constraints ◽  
Polymer Nanoparticle ◽  
Polymer Packing

We investigate the polymer packing around nanoparticles and polymer/nanoparticle topological constraints (entanglements) in nanocomposites containing spherical nanoparticles in comparison to pure polymer melts using molecular dynamics (MD) simulations.

Self-assembly of carbon nanotubes in polymer melts: simulation of structural and electrical behaviour by hybrid particle-field molecular dynamics

Nanoscale ◽  
2016 ◽  
Vol 8 (34) ◽  
pp. 15538-15552 ◽  
Author(s):  
Ying Zhao ◽  
Maksym Byshkin ◽  
Yue Cong ◽  
Toshihiro Kawakatsu ◽  
Liberata Guadagno ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Self Assembly ◽  
Polymer Melts ◽  
Electrical Behaviour ◽  
Particle Field ◽  
Hybrid Particle

scholarly journals Systematic time-scale-bridging molecular dynamics applied to flowing polymer melts

2009 ◽  
Vol 79 (1) ◽  
Author(s):  
Patrick Ilg ◽  
Hans Christian Öttinger ◽  
Martin Kröger
Keyword(s):  
Molecular Dynamics ◽  
Time Scale ◽  
Polymer Melts ◽  
Scale Bridging
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