A molecular dynamics study of thermal boundary resistance over solid interfaces with an extremely thin liquid film
A molecular dynamics study of thermal boundary resistance over solid interfaces with an extremely thin liquid film
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DOI：
10.1016/j.ijheatmasstransfer.2019.118949
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发表时间：
2020-02
影响因子：
5.2
通讯作者：
Xiao Liu;D. Surblys;Yoshiaki Kawagoe;A. R. Saleman;H. Matsubara;G. Kikugawa;T. Ohara
中科院分区：
文献类型：
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作者：
Xiao Liu;D. Surblys;Yoshiaki Kawagoe;A. R. Saleman;H. Matsubara;G. Kikugawa;T. Ohara
我们研究了通过极薄的液体膜连接的两个固体表面上的热能传输特性，其中液体分子同时受到两个固体表面的影响。利用非平衡态分子动力学模拟，两个固体表面之间的热阻进行了研究，为不同厚度的液体膜和不同的对齐（面内取向）的两个固体表面。两个固体表面都是面心立方晶格的（110）平面，并且两种不同的排列组合，即，或平行或交叉，进行检查。将固体表面间的热阻分解为固液界面热阻和液膜热阻，分别进行了分析。结果表明，当液膜厚度小于等于四个分子尺度时，液膜厚度和表面取向对热阻有显著影响。具体地，当液膜是单层液体分子（LLM）时，与更多LLM的情况相比，固体表面之间的热阻极低，并且随着液体密度的增加而增加。相比之下，当膜由两个或三个LLM组成时，固-液界面热阻随着液体密度的增加而减小，并且当LLM的数量从两个变化到三个时发生不连续的增加。至于表面排列的效果，发现平行表面排列比交叉表面排列提供更低的热阻。
We investigated the characteristics of thermal energy transport over two solid surfaces joined via an extremely thin liquid film where the liquid molecules are under the influence of both solid surfaces simultaneously. Using non-equilibrium molecular dynamics simulations, the thermal resistance between the two solid surfaces was examined for different thickness of liquid film and different alignment (in-plane orientation) of the two solid surfaces. Both solid surfaces were the (1 1 0) plane of face centered cubic lattice, and two different combinations of alignment, i.e., either parallel or crossed to each other, were examined. The thermal resistance between the solid surfaces was decomposed into the thermal boundary resistance at the solid-liquid interfaces and the thermal resistance of the liquid film, which were analyzed separately. The results showed that when the liquid film thickness is equal or less to four molecular dimensions, both the film thickness and the surface alignment have significant influence on the thermal resistance. Specifically, when the liquid film is a single layer of liquid molecules (LLM), the thermal resistance between solid surfaces is extremely low when compared with the cases of more LLM, and increases with increasing liquid density. In contrast, when the film is composed of two or three LLM, the solid-liquid interfacial thermal resistance decreases with increasing liquid density, and a discontinuous increase occurs as the number of LLM changes from two to three. As for the effect of surface alignment, it was found that the parallel surface alignment gives a lower thermal resistance than the crossed surface alignment.