Thermal resonance induced by quasi-Casimir coupling for innovative nanoscale thermal management

准卡西米尔传热是一种由热传导向热辐射过渡的新型传热方式，它导致两个物体之间的界面热共振。然而，纳米结构与固体表面吸附水层之间的准卡西米尔耦合仍然是一个有待解决的问题。因此，利用非平衡分子动力学，我们将验证声子通过纳米结构和吸附水层在纳米间隙中的传输，重点关注准卡西米尔耦合和热共振。在2022财年，我们使用封装程序LAMMPS进行了分子动力学模拟。在水分子吸附Pt的纳米间隙中，不仅固体分子之间存在热共振现象，而且液体分子之间也存在声子输运现象。在非平衡状态下，随着间隙距离的减小，纳米间隙上的热流密度呈指数增长，液体吸附层原子之间的热共振与固体界面层原子之间的热共振共同发生。进一步阐明了SiC分子终止原子（Si-C、C-Si、Si-Si和C-C）对SiC纳米隙中热共振现象和声子输运的影响。这些结果已经在2022年的热工程会议上发表，并由皇家化学学会发表在《物理化学化学物理和纳米尺度》上。

Quasi-Casimir heat transfer, a new heat transfer mode in the transition regime from heat conduction to thermal radiation, results in the interfacial thermal resonance between two objects. However, the quasi-Casimir coupling between the nanostructures and adsorbed water layers on the solid surfaces is still open for question. Therefore, using nonequilibrium molecular dynamics, we will verify phonon transmission across a nanogap via nanostructures and adsorbed water layers, focusing on quasi-Casimir coupling and thermal resonance.In the FY 2022, we performed molecular dynamics simulation using the package program LAMMPS. In the nanogap of Pt adsorbed with water molecules, thermal resonance phenomena and phonon transport at the interface were confirmed not only between solid molecules but also between liquid molecules. In a nonequilibrium state, the heat flux across the nanogap increases exponentially with decreasing gap distance, and the thermal resonance between the atoms of the liquid adsorption layers co-occurs with the thermal resonance between the atoms of the solid interface layers. Moreover, the effects of the SiC molecular termination atoms (Si-C, C-Si, Si-Si, and C-C) on the thermal resonance phenomena and phonon transport in the SiC nanogap were clarified.These results have been presented at the 2022 Thermal Engineering Conference and published in Physical Chemistry Chemical Physics and Nanoscale by the Royal Society of Chemistry.