Wu Yen-Ju, Zhan Tianzhuo, Hou Zhufeng, Fang Lei, Xu Yibin
Center for Materials research by Information Integration (CMI2), Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki, 305-0044, Japan.
Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo, 169-8555, Japan.
Sci Data. 2020 Feb 3;7(1):36. doi: 10.1038/s41597-020-0373-2.
Heat transfer at interfaces plays a critical role in material design and device performance. Higher interfacial thermal resistances (ITRs) affect the device efficiency and increase the energy consumption. Conversely, higher ITRs can enhance the figure of merit of thermoelectric materials by achieving ultra-low thermal conductivity via nanostructuring. This study proposes a dataset of descriptors for predicting the ITRs. The dataset includes two parts: one part consists of ITRs data collected from 87 experimental papers and the other part consists of the descriptors of 289 materials, which can construct over 80,000 pair-material systems for ITRs prediction. The former part is composed of over 1300 data points of metal/nonmetal, nonmetal/nonmetal, and metal/metal interfaces. The latter part consists of physical and chemical properties that are highly correlated to the ITRs. The synthesis method of the materials and the thermal measurement technique are also recorded in the dataset for further analyses. These datasets can be applied not only to ITRs predictions but also to thermal-property predictions or heat transfer on various material systems.
界面处的热传递在材料设计和器件性能方面起着关键作用。较高的界面热阻（ITR）会影响器件效率并增加能耗。相反，较高的界面热阻可通过纳米结构实现超低热导率，从而提高热电材料的品质因数。本研究提出了一个用于预测界面热阻的描述符数据集。该数据集包括两部分：一部分是从87篇实验论文中收集的界面热阻数据，另一部分是289种材料的描述符，它们可以构建超过80000个用于界面热阻预测的材料对系统。前一部分由金属/非金属、非金属/非金属和金属/金属界面的1300多个数据点组成。后一部分包括与界面热阻高度相关的物理和化学性质。材料的合成方法和热测量技术也记录在数据集中以供进一步分析。这些数据集不仅可应用于界面热阻预测，还可应用于各种材料系统的热性能预测或热传递。
