On the calculation of transport properties of polymer melts from nonequilibrium molecular dynamics

1997 ◽  
Vol 106 (19) ◽  
pp. 8285-8286 ◽  
Author(s):  
Zhengfang Xu ◽  
Rajesh Khare ◽  
Juan J. de Pablo ◽  
Sangtae Kim
Keyword(s):  
Molecular Dynamics ◽  
Transport Properties ◽  
Polymer Melts ◽  
Nonequilibrium Molecular Dynamics

Investigation of thermal transport properties in pillared-graphene structure using nonequilibrium molecular dynamics simulations

2020 ◽  
Vol 10 (3) ◽  
pp. 506-511 ◽  
Author(s):  
Khaled Almahmoud ◽  
Thiruvillamalai Mahadevan ◽  
Nastaran Barhemmati-Rajab ◽  
Jincheng Du ◽  
Huseyin Bostanci ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Thermal Transport ◽  
Nonequilibrium Molecular Dynamics ◽  
Thermal Transport Properties ◽  
Dynamics Simulations ◽  
Image Position

Rheology and structural changes of polymer melts via nonequilibrium molecular dynamics

1993 ◽  
Vol 37 (6) ◽  
pp. 1057-1079 ◽  
Author(s):  
Martin Kröger ◽  
Werner Loose ◽  
Siegfried Hess
Keyword(s):  
Molecular Dynamics ◽  
Structural Changes ◽  
Polymer Melts ◽  
Nonequilibrium Molecular Dynamics
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