Nonequilibrium molecular dynamics calculation of the thermal conductivity based on an improved relaxation scheme

2008 ◽  
Vol 129 (7) ◽  
pp. 074106 ◽  
Author(s):  
Bing-Yang Cao
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Nonequilibrium Molecular Dynamics ◽  
Relaxation Scheme ◽  
Dynamics Calculation

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.

Molecular dynamics calculation of the thermal conductivity of superlattices

2002 ◽  
Vol 66 (2) ◽  
Author(s):  
Brian C. Daly ◽  
Humphrey J. Maris ◽  
K. Imamura ◽  
S. Tamura
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Dynamics Calculation
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