Non-equilibrium Molecular Dynamics for Calculating the Thermal Conductivity of Graphene-Coated Aluminum

Year 2020, , 27 - 32, 31.05.2020

Kasim Toprak , Ahmet Yılmaz

https://doi.org/10.34088/kojose.663888

Cited By: 3

Abstract

The number of graphene layer and length effect on the thermal conductivity of the graphene-coated aluminum is studied using non-equilibrium molecular dynamics (NEMD) simulation method. The NEMD simulation code is created and performed in the C++ computer programming language with Message Passing Interface (MPI) library. NEMD simulations are carried out for bare aluminum, graphene, single-layer graphene (SLG) - bilayer graphene (BLG) coated aluminum. Results show that the thermal conductivity increases with the length of the model. Moreover, coating one side of aluminum with graphene increases the phonon thermal conductivity 149% and 261% for SLG and BLG respectively.

Keywords

Graphene coated aluminum, Molecular dynamics, Thermal conductivity

Supporting Institution

TÜBİTAK

Project Number

116f115

Thanks

The numerical calculations reported in this paper were partially performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA Resources). This work was supported by the Scientific and Technological Research Council of Turkey (TUBITAK), Project No: 116F115.

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