Coarse grained model of diffusion in entangled bidisperse polymer melts

2007 ◽  
Vol 127 (14) ◽  
pp. 144909 ◽  
Author(s):  
R. C. Picu ◽  
A. Rakshit
Keyword(s):  
Polymer Melts ◽  
Coarse Grained ◽  
Coarse Grained Model

A structure-based coarse-grained model for polymer melts

2001 ◽  
Vol 114 (2) ◽  
pp. 1020 ◽  
Author(s):  
Reinier L. C. Akkermans ◽  
W. J. Briels
Keyword(s):  
Polymer Melts ◽  
Coarse Grained ◽  
Coarse Grained Model

scholarly journals Assessment of an anisotropic coarse-grained model for cis-1,4-polybutadiene: a bottom-up approach

Soft Matter ◽  
2021 ◽  
Author(s):  
Ioannis Tanis ◽  
Bernard Rousseau ◽  
Laurent Soulard ◽  
Claire A. Lemarchand
Keyword(s):  
Polymer Melts ◽  
Coarse Grained ◽  
Bottom Up ◽  
Coarse Grained Model

This work presents a generic anisotropic bottom-up coarse-grained approach for polymer melts and it is tested thoroughly and successfully.

Developing Coarse-Grained Force Fields of Poly (methylmethacrylate-b-2-vinylpyridine) from Atomistic Simulation

2012 ◽  
Vol 562-564 ◽  
pp. 123-128 ◽  
Author(s):  
Bo Du ◽  
Zi Lu Wang ◽  
Xue Hao He
Keyword(s):  
Mechanical Properties ◽  
Force Field ◽  
Self Assembly ◽  
Atomistic Simulation ◽  
Polymer Melts ◽  
Coarse Grained ◽  
Atomistic Simulations ◽  
Inversion Method ◽  
Coarse Grained Model ◽  
Vinyl Pyridine

A coarse-grained force field for poly (methylmethacrylate-b-2-vinyl pyridine) is developed based on the Iterative Boltzmann Inversion method. The proposed coarse-grained model, successfully reproduced the properties of the polymer melts obtained from atomistic simulations, may provide an efficient way to study their mechanical properties and self-assembly behaviors.

A highly coarse-grained model to simulate entangled polymer melts

2012 ◽  
Vol 136 (14) ◽  
pp. 144903 ◽  
Author(s):  
You-Liang Zhu ◽  
Hong Liu ◽  
Zhong-Yuan Lu
Keyword(s):  
Polymer Melts ◽  
Coarse Grained ◽  
Coarse Grained Model ◽  
Entangled Polymer ◽  
Entangled Polymer Melts
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