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

准Casimir传热是由热传导向热辐射过渡的一种新的传热方式，它导致了两物体间的界面热共振。然而，纳米结构和固体表面上的吸附水层之间的准Casimir耦合仍然是开放的问题。因此，我们将利用非平衡态分子动力学，以准Casimir耦合和热共振为中心，验证声子通过纳米结构和吸附水层在纳米间隙中的传输。2022财年，我们使用LAMMPS软件包进行了分子动力学模拟。在吸附有水分子的Pt纳米间隙中，不仅在固体分子之间而且在液体分子之间证实了界面处的热共振现象和声子输运。在非平衡状态下，纳米间隙中的热通量随着间隙距离的减小而呈指数增加，并且液体吸附层的原子之间的热共振与固体界面层的原子之间的热共振共同发生。此外，还阐明了SiC分子末端原子（Si-C、C-Si、Si-Si和C-C）对SiC纳米间隙中热共振现象和声子输运的影响，这些结果已在2022年热工程会议上发表，并由皇家化学学会发表在《物理化学化学物理与纳米尺度》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.