El-Rifai Abdullah, Perumanath Sreehari, Borg Matthew K, Pillai Rohit
Institute for Multiscale Thermofluids, University of Edinburgh, Edinburgh EH9 3FD, U.K.
Mathematics Institute, University of Warwick, Coventry CV4 7AL, U.K.
J Phys Chem C Nanomater Interfaces. 2024 May 13;128(20):8408-8417. doi: 10.1021/acs.jpcc.4c00536. eCollection 2024 May 23.
The interfacial thermal conductance at a solid/liquid interface () exhibits an exponential-to-linear crossover with increasing solid/liquid interaction strength, previously attributed to the relative strength of solid/liquid to liquid/liquid interactions. Instead, using a simple Lennard-Jones setup, our molecular simulations reveal that this crossover occurs due to the onset of solidification in the interfacial liquid at high solid/liquid interaction strengths. This solidification subsequently influences interfacial energy transport, leading to the crossover in . We use the overlap between the spectrally decomposed heat fluxes of the interfacial solid and liquid to pinpoint when "solid-like energy transport" within the interfacial liquid emerges. We also propose a novel decomposition of into (i) the conductance right at the solid/liquid interface and (ii) the conductance of the nanoscale interfacial liquid region. We demonstrate that the rise of solid-like energy transport within the interfacial liquid influences the relative magnitude of these conductances, which in turn dictates when the crossover occurs. Our results can aid engineers in optimizing at realistic interfaces, critical to designing effective cooling solutions for electronics among other applications.
固/液界面处的界面热导率（）随着固/液相互作用强度的增加呈现出从指数到线性的转变，此前这被归因于固/液相互作用与液/液相互作用的相对强度。相反，通过一个简单的 Lennard-Jones 模型，我们的分子模拟表明，这种转变是由于在高固/液相互作用强度下界面液体中凝固的开始。这种凝固随后影响界面能量传输，导致的转变。我们利用界面固体和液体的光谱分解热通量之间的重叠来确定界面液体中何时出现“类固体能量传输”。我们还提出了一种将新颖地分解为（i）固/液界面处的热导率和（ii）纳米级界面液体区域的热导率的方法。我们证明，界面液体中类固体能量传输的增加会影响这些热导率的相对大小，进而决定转变何时发生。我们的结果可以帮助工程师在实际界面处优化，这对于为电子设备及其他应用设计有效的冷却解决方案至关重要。
