Hasan Mohammad Rashedul, Vo Truong Quoc, Kim BoHung
School of Mechanical Engineering, University of Ulsan Daehak-ro 93, Namgu Ulsan 680-749 South Korea
University of Kaiserslautern, Laboratory of Engineering Thermodynamics Erwin-Schrodinger-Str. 44 Kaiserslautern 67663 Germany
RSC Adv. 2019 Feb 8;9(9):4948-4956. doi: 10.1039/c8ra08390h. eCollection 2019 Feb 5.
Heat transfer across an interface between a monolayer coated solid substrate and fluid has been extensively analyzed through a series of non-equilibrium molecular dynamics simulations. The effect of the monolayer was studied by varying its atomic mass ( ) and interaction energy between monolayer particles ( ). Even though the fluid adsorption plays a role in heat transfer at the solid-fluid interface, we found that the interfacial thermal resistance (Kapitza resistance) is highly affected by the insertion of monolayer without any further change in the liquid structure near the solid surface. The Kapitza length monotonically increases with the increase of irrespective of . The observations were explained by analysis of the overlap of the phonon spectrum at the interface using vibrational density of states. The effect of the monolayer on the Kapitza length was summarized by a fourth polynomial function that demonstrates the contribution of both and with respect to each other on the Kapitza resistance within the parametric range studied.
通过一系列非平衡分子动力学模拟，对单层涂层固体基板与流体之间界面的热传递进行了广泛分析。通过改变单层的原子质量（ ）和单层粒子之间的相互作用能（ ）来研究单层的影响。尽管流体吸附在固液界面的热传递中起作用，但我们发现，在固体表面附近液体结构没有任何进一步变化的情况下，界面热阻（卡皮察电阻）受单层插入的影响很大。卡皮察长度随 的增加而单调增加，与 无关。通过使用振动态密度分析界面处声子谱的重叠来解释这些观察结果。单层对卡皮察长度的影响由一个四次多项式函数总结，该函数展示了在所研究的参数范围内 和 对卡皮察电阻的相互贡献。
