Rheological and Structural Properties of Associated Polymer Networks Studied via Nonequilibrium Molecular Dynamics Simulation

2021 ◽  
Author(s):  
Yuankun Peng ◽  
Tongkui Yue ◽  
Sai Li ◽  
Ke Gao ◽  
Yachen Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Properties ◽  
Functional Groups ◽  
Molecular Level ◽  
Polymer Networks ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Nonequilibrium Molecular Dynamics ◽  
Nonequilibrium Molecular Dynamics Simulation

An intensive understanding of the rheological and structural properties of polymer physical networks formed via the associative functional groups at the molecular level is still lacking. Herein, we employed coarse-grained...

Thermal properties of pillared-graphene nanostructures

2015 ◽  
Vol 1727 ◽  
Author(s):  
M. Rifu ◽  
K. Shintani
Keyword(s):  
Thermal Conductivity ◽  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Thermal Properties ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Nonequilibrium Molecular Dynamics ◽  
Nonequilibrium Molecular Dynamics Simulation ◽  
Thermal Conductivities ◽  
Graphene Nanostructures

ABSTRACTThe thermal conductivities of pillared-graphene nanostructures (PGNSs) are obtained using nonequilibrium molecular-dynamics simulation. It is revealed their thermal conductivities are much smaller than the thermal conductivities of carbon nanotubes (CNTs). This fact is explained by examining the density of states (DOS) of the local phonons of PGNSs. It is also found the thermal conductivity of a PGNS linearly decreases with the increase of the inter-pillar distance.

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