Mechanical Engineering / Makina Mühendisliği
Permanent URI for this collectionhttps://hdl.handle.net/11147/4129
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Conference Object Molecular Dynamics Study of the Thermal Conductivity of Graphene Coated Copper(Avestia Publishing, 2019) Toprak, Kasım; Ersavaş, GizemIn 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.Article Citation - WoS: 44Citation - Scopus: 47Electric Field Controlled Transport of Water in Graphene Nano-Channels(American Institute of Physics, 2017) Çelebi, Alper Tunga; Barışık, Murat; Beşkök, AliMotivated by electrowetting-based flow control in nano-systems, water transport in graphene nano-channels is investigated as a function of the applied electric field. Molecular dynamics simulations are performed for deionized water confined in graphene nano-channels subjected to opposing surface charges, creating an electric field across the channel. Water molecules respond to the electric field by reorientation of their dipoles. Oxygen and hydrogen atoms in water face the anode and cathode, respectively, and hydrogen atoms get closer to the cathode compared to the oxygen atoms near the anode. These effects create asymmetric density distributions that increase with the applied electric field. Force-driven water flows under electric fields exhibit asymmetric velocity profiles and unequal slip lengths. Apparent viscosity of water increases and the slip length decreases with increased electric field, reducing the flow rate. Increasing the electric field above a threshold value freezes water at room temperature.Article Citation - WoS: 59Citation - Scopus: 64Interfacial Thermal Resistance Between the Graphene-Coated Copper and Liquid Water(Elsevier Ltd., 2016) Pham, An T.; Barışık, Murat; Kim, BohungThe thermal coupling at water-solid interfaces is a key factor in controlling thermal resistance and the performance of nanoscale devices. This is especially important across the recently engineered nano-composite structures composed of a graphene-coated-metal surface. In this paper, a series of molecular dynamics simulations were conducted to investigate Kapitza length at the interface of liquid water and nano-composite surfaces of graphene-coated-Cu(1 1 1). We found that Kapitza length gradually increased and converged to the value measured on pure graphite surface with the increase of the number of graphene layers inserted on the Cu surface. Different than the earlier hypothesis on the "transparency of graphene," the Kapitza length at the interface of mono-layer graphene coated Cu and water was found to be 2.5 times larger than the value of bare Cu surface. This drastic change of thermal resistance with the additional of a single graphene is validated by the surface energy calculations indicating that the mono-layer graphene allows only ∼18% van der Waals energy of underneath Cu to transmit. We introduced an "overall interaction strength" value for the nano-composites based the quantitative contribution of pair interaction potentials of each material with water into the total surface energy in each case. Similar to earlier studies, results revealed that Kapitza length shows exponentially variation as a function of the estimated interaction strength of the nano-composite surfaces. The effect of Cu/graphene coupling on thermal behavior between the nano-composite with water was characterized. The Kapitza length was found to decrease significantly with increased Cu/graphene strength in the case of weak coupling, while this behavior becomes negligible with strong coupling of Cu and graphene.