Thermal management of interfaces is crucial because thermal boundary resistance (TBR) is dominant in the overall thermal resistance. Most studies on thermal transport at solid–liquid interfaces have focused on solid surfaces with crystal planes or structures measuring a few nanometers in size, and the influence of the surface structure of a single-atomic structure on the interfacial thermal transport remains unclear. This study investigated the TBR at Si–H₂O interfaces with single-atomic structures (steps, clusters, and adatoms). Conventional density depletion length (DDL) was found to be unsuitable for evaluating thermal transport performance of surfaces with atomic structures. Therefore, we developed radial DDL, defined at each surface solid atom (RDDL), which is applicable to cases wherein single-atomic structures exist on a planar solid surface. The TBR decreased when single-atomic structures were attached to a surface with a high surface density at the atomistic scale. The developed RDDL, calculated focusing on each surface solid atom, exhibited a property similar to that exhibited by conventional DDL. The thermal transport decreased with an increase in the RDDL. Thus, RDDL facilitated a comprehensive understanding of precise thermal transport properties at the single-atomic scale via the simple measurement of the density distribution at solid–liquid interfaces.

中文翻译：

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基于表面固体原子径向密度耗尽长度的单原子结构跨液固界面的热传输


界面的热管理至关重要，因为热边界热阻 (TBR) 在整体热阻中占主导地位。大多数关于固液界面热传输的研究都集中在具有晶面或几纳米尺寸结构的固体表面，单原子结构的表面结构对界面热传输的影响仍不清楚。本研究研究了具有单原子结构（阶梯、簇和吸附原子）的 Si-H ₂ O 界面上的 TBR。人们发现传统的密度耗尽长度（DDL）不适合评估具有原子结构的表面的热传输性能。因此，我们开发了在每个表面固体原子上定义的径向DDL（RDDL），它适用于平面固体表面上存在单原子结构的情况。当单原子结构附着在原子尺度上具有高表面密度的表面时，TBR 会降低。开发的 RDDL 重点关注每个表面固体原子进行计算，表现出与传统 DDL 相似的特性。热传输随着 RDDL 的增加而减少。因此，RDDL 通过简单测量固液界面的密度分布，有助于全面了解单原子尺度的精确热传输特性。