Molecular Dynamics Simulations of Ring Shapes on a Ring Fraction in Ring–Linear Polymer Blends

2021 ◽  
Author(s):  
Katsumi Hagita ◽  
Takahiro Murashima
Keyword(s):  
Molecular Dynamics ◽  
Polymer Blends ◽  
Molecular Dynamics Simulations ◽  
Linear Polymer ◽  
Dynamics Simulations

scholarly journals Molecular insights on poly(N-isopropylacrylamide) coil-to-globule transition induced by pressure

2021 ◽  
Vol 23 (10) ◽  
pp. 5984-5991
Author(s):  
Letizia Tavagnacco ◽  
Ester Chiessi ◽  
Emanuela Zaccarelli
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Chain ◽  
Linear Polymer ◽  
Dynamics Simulations ◽  
Linear Polymer Chain

By using extensive all-atom molecular dynamics simulations of an atactic linear polymer chain, we unveil the role of pressure in the coil-to-globule transition of poly(N-isopropylacrylamide) (PNIPAM).

scholarly journals Friction between ring polymer brushes

Soft Matter ◽  
2015 ◽  
Vol 11 (16) ◽  
pp. 3139-3148 ◽  
Author(s):  
Aykut Erbaş ◽  
Jarosław Paturej
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Brushes ◽  
Polymer Brush ◽  
Linear Polymer ◽  
Coarse Grained ◽  
Ring Polymer ◽  
Dynamics Simulations ◽  
Scaling Arguments ◽  
Coarse Grained Molecular Dynamics

Friction between ring polymer brush bilayers sliding past each other is studied using extensive coarse-grained molecular dynamics simulations and scaling arguments, and the results are compared to the friction between bilayers of linear polymer brushes.

Molecular dynamics simulations of athermal polymer blends: Finite system size considerations

1995 ◽  
Vol 103 (3) ◽  
pp. 1200-1207 ◽  
Author(s):  
Craig S. Stevenson ◽  
John D. McCoy ◽  
Steve J. Plimpton ◽  
John G. Curro
Keyword(s):  
Molecular Dynamics ◽  
Polymer Blends ◽  
Molecular Dynamics Simulations ◽  
System Size ◽  
Finite System ◽  
Dynamics Simulations
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