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.

The Edge Effects on the Lattice Thermal Conductivity of Graphene Nanoribbons

2011 ◽  
Author(s):  
Z. Wei ◽  
Z. Ni ◽  
K. Bi ◽  
J. Wang ◽  
Y. Chen
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Graphene Nanoribbons ◽  
Dynamics Simulation ◽  
Nonequilibrium Molecular Dynamics ◽  
Edge Zone ◽  
The Difference ◽  
Nonequilibrium Molecular Dynamics Simulation ◽  
Thermal Conductivities

The thermal conductivity of graphene nanoribbons was investigated with nonequilibrium molecular dynamics simulation methods. The results show that the thermal conductivity of nanoribbons lined with zig-zag edges is higher than that with arm-chair edges for the samples with the same width. The phonon density of states is extracted from the molecular dynamics simulation to quantitatively explain the difference between the thermal conductivities of the two kind nanoribbons. The effects of vacancy on the thermal conductivity of nanoribbons are also investigated and it is found the defects on the edge zone play little role than that located in the interior zone of nanoribbons in reducing thermal conductivities.

Thermal Conductivity of Carbon Nanotubes With Defects

2011 ◽  
Author(s):  
Haibin Chen ◽  
Alan J. H. McGaughey
Keyword(s):  
Thermal Conductivity ◽  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Thermal Management ◽  
Direct Application ◽  
Dynamics Simulation ◽  
Fourier Law ◽  
Pristine Cnts ◽  
Thermal Conductivities

The high thermal conductivities of carbon nanotubes (CNTs) measured experimentally and predicted from theory suggest that they are good candidates for next-generation thermal management materials. The quantities of CNTs needed in applications preclude the use of pristine products. Limited work, however, has been done to study thermal transport in CNTs with defects. In this paper, the thermal conductivities of pristine CNTs and CNTs with various defect types (adatoms, single vacancies, double vacancies, and Stone-Wales) are systematically predicted using molecular dynamics simulation and a direct application of the Fourier law. We investigate the correlation between the thermal conductivity and defect energy.

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