Tunable thermal rectification in silicon-functionalized graphene nanoribbons by molecular dynamics simulation

2015 ◽  
Vol 98 ◽  
pp. 24-31 ◽  
Author(s):  
Kunpeng Yuan ◽  
Mingman Sun ◽  
Zhaoliang Wang ◽  
Dawei Tang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Graphene Nanoribbons ◽  
Dynamics Simulation ◽  
Functionalized Graphene ◽  
Thermal Rectification

Edge-Functionalized Graphene as a Nanofiller: Molecular Dynamics Simulation Study

2015 ◽  
Vol 48 (24) ◽  
pp. 9024-9038 ◽  
Author(s):  
Petra Bačová ◽  
Anastassia N. Rissanou ◽  
Vagelis Harmandaris
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Functionalized Graphene

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

Molecular dynamics simulation for interlayer interactions of graphene nanoribbons with multiple layers

2016 ◽  
Vol 98 ◽  
pp. 228-234 ◽  
Author(s):  
Reza Nazemnezhad ◽  
Mojtaba Zare ◽  
Shahrokh Hosseini-Hashemi ◽  
Hassan Shokrollahi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Graphene Nanoribbons ◽  
Dynamics Simulation

Thermal Rectification in Silicon Nanowires With Mass Gradients

2008 ◽  
Author(s):  
Shuai-Chuang Wang ◽  
Xin-Gang Liang ◽  
Xiang-Hua Xu
Keyword(s):  
Molecular Dynamics ◽  
Heat Flux ◽  
Molecular Dynamics Simulation ◽  
Silicon Nanowires ◽  
Dynamics Simulation ◽  
Effect Of Temperature ◽  
Phonon Density ◽  
Phonon Density Of States ◽  
Thermal Rectification ◽  
Axial Mass

Thermal rectification as a new phenomenon is attracting great attention. Thermal rectification in silicon nanowires with axial mass gradient is investigated by molecular dynamics simulation. The results of the simulations show that the thermal conductivities are different for the heat flux with opposite directions. The rectification efficiency becomes larger when the mass gradient increases. The effect of temperature gradient on the thermal rectification is also considered. The phonon density of states is calculated to explain the phenomenon. It is found that the interface is responsible to the thermal rectification.

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