Mechanical Engineering / Makina Mühendisliği

Permanent URI for this collectionhttps://hdl.handle.net/11147/4129

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Subject: search.filters.subject.Molecular dynamicsWoS Q: search.filters.wosQuartile.N/A

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  • Article
    Non-Equilibrium Molecular Dynamics for Calculating the Thermal Conductivity of Graphene-Coated Aluminum
    (2020) Toprak, Kasım; Yılmaz, Ahmet Berk
    Non-equilibrium Molecular Dynamics (NEMD) simulations have been created in C++ using Message Passing Interface (MPI) library to calculate the phonon thermal conductivity of bare graphene, aluminum, and graphene-coated aluminum. This study focuses on how graphene can alter the thermal conductivity of graphene-coated aluminum. The effect of length, graphene, and the number of graphene layers are analyzed. Even though electrons are dominant on thermal conductivity of aluminum, the effect of graphene coating can be seen in the results. The results show that the thermal conductivity of aluminum increases by up to 149% by graphene coating. When the number of layers increases to two layers, the thermal conductivity increases by up to 261%. Moreover, the results increase with the length of all models.
  • Conference Object
    Molecular Dynamics Study of the Thermal Conductivity of Graphene Coated Copper
    (Avestia Publishing, 2019) Toprak, Kasım; Ersavaş, Gizem
    In this study, the thermal conductivity of various size of pure copper, pure graphene and, different number of layer graphene coated copper models are studied using non-equilibrium molecular dynamics (NEMD) simulations. Our findings show that the thermal conductivity of graphene coated copper is higher than the uncoated ones. Furthermore, results also indicate that single layer graphene (SLG) model has the highest thermal conductivity as compared to the other model. Even though multiple layer graphene (MLG) has lower thermal conductivity value compare to SLG, this study shows that the thermal conductivity of MLG coated copper has higher thermal conductivity than SLG coated one. The most important finding in this study suggests that the thermal conductivity of copper can be improved using high thermal conductivity materials like graphene. © 2019, Avestia Publishing.