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首页> 外文期刊>International Journal of Heat and Mass Transfer >Interfacial thermal resistance between the graphene-coated copper and liquid water
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Interfacial thermal resistance between the graphene-coated copper and liquid water

机译：石墨烯包覆的铜与液态水之间的界面热阻

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摘要

The 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(111). 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.
机译：水固界面的热耦合是控制热阻和纳米器件性能的关键因素。这对于由石墨烯涂层金​​属表面组成的最近设计的纳米复合材料结构尤其重要。在本文中，进行了一系列分子动力学模拟，以研究液态水与石墨烯包覆的Cu（111）的纳米复合表面的界面处的Kapitza长度。我们发现，随着插入铜表面的石墨烯层数的增加，Kapitza长度逐渐增加并收敛到在纯石墨表面上测得的值。与早期关于“石墨烯的透明度”的假设不同，发现单层石墨烯包覆的铜与水的界面处的Kapitza长度比裸露的铜表面的值大2.5倍。这种热阻的急剧变化加上一个单独的石墨烯，已通过表面能计算得到了验证，表明单层石墨烯仅允许Cu下方约18％的范德华能量传递。在每种情况下，我们基于每种材料与水的成对相互作用电位对总表面能的定量贡献，引入了纳米复合材料的“总体相互作用强度”值。与早期研究相似，结果表明，Kapitza长度随纳米复合材料表面相互作用强度的估计呈指数变化。表征了铜/石墨烯偶联对纳米复合材料与水之间热行为的影响。在弱耦合的情况下，发现Kapitza长度随Cu /石墨烯强度的增加而显着降低，而在Cu和石墨烯的强耦合下，这种行为可以忽略。

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