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

Authors : Kasim TOPRAK, Ahmet YILMAZ

Pages : 27-32

Doi:10.34088/kojose.663888

View : 23 | Download : 3

Publication Date : 2020-05-31

Article Type : Research Paper

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 insert ignore into journalissuearticles values(NEMD); simulation method. The NEMD simulation code is created and performed in the C++ computer programming language with Message Passing Interface insert ignore into journalissuearticles values(MPI); library. NEMD simulations are carried out for bare aluminum, graphene, single-layer graphene insert ignore into journalissuearticles values(SLG); - bilayer graphene insert ignore into journalissuearticles values(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