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

2005 ◽  
Vol 38 (13) ◽  
pp. 5761-5765 ◽  
Author(s):  
Qiang Zhou ◽  
Ronald G. Larson
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Melts ◽  
Entangled Polymer ◽  
Entangled Polymer Melts ◽  
Dynamics Simulations

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 Isostaticity and the solidification of semiflexible polymer melts

Soft Matter ◽  
2017 ◽  
Vol 13 (43) ◽  
pp. 7948-7952 ◽  
Author(s):  
Christian O. Plaza-Rivera ◽  
Hong T. Nguyen ◽  
Robert S. Hoy
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Melts ◽  
Polymer Model ◽  
Soft Sphere ◽  
Semiflexible Polymer ◽  
Dynamics Simulations

Using molecular dynamics simulations of a tangent-soft-sphere bead-spring polymer model, we examine the degree to which semiflexible polymer melts solidify at isostaticity.

Glass transition of ion-containing polymer melts in bulk and thin films

Soft Matter ◽  
2021 ◽  
Vol 17 (37) ◽  
pp. 8420-8433 ◽  
Author(s):  
Wei Li ◽  
Monica Olvera de la Cruz
Keyword(s):  
Thin Films ◽  
Molecular Dynamics ◽  
Glass Transition ◽  
Transition Temperature ◽  
Glass Transition Temperature ◽  
Molecular Dynamics Simulations ◽  
Polymer Melts ◽  
Transition Behavior ◽  
Dynamics Simulations

We investigate the glass transition behavior of ion-containing polymers via molecular dynamics simulations, revealing its coupling with ionic correlations as well as variations of the glass transition temperature in bulk and thin films.

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