Influence of typical defects on thermal conductivity of graphene nanoribbons: An equilibrium molecular dynamics simulation

2012 ◽  
Vol 258 (24) ◽  
pp. 9926-9931 ◽  
Author(s):  
Dong Yang ◽  
Fei Ma ◽  
Yunjin Sun ◽  
Tingwei Hu ◽  
Kewei Xu
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Graphene Nanoribbons ◽  
Dynamics Simulation

scholarly journals Impact of vacancies on the thermal conductivity of graphene nanoribbons: A molecular dynamics simulation study

AIP Advances ◽  
2017 ◽  
Vol 7 (1) ◽  
pp. 015112 ◽  
Author(s):  
Maliha Noshin ◽  
Asir Intisar Khan ◽  
Ishtiaque Ahmed Navid ◽  
H. M. Ahsan Uddin ◽  
Samia Subrina
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Graphene Nanoribbons ◽  
Dynamics Simulation

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.

Study of lattice thermal conductivity of tungsten containing bubbles by molecular dynamics simulation

2020 ◽  
Vol 161 ◽  
pp. 112004
Author(s):  
Hongyu Zhang ◽  
Jizhong Sun ◽  
Yingmin Wang ◽  
Thomas Stirner ◽  
Ali Y. Hamid ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Lattice Thermal Conductivity ◽  
Dynamics Simulation
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