Wang Ziyang, Sun Fangyuan, Liu Zihan, Zheng Libing, Wang Dazheng, Feng Yanhui
School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, China.
Institute of Electrical Engineering, Chinese Academy of Sciences, Beijing 100190, China.
ACS Appl Mater Interfaces. 2023 Mar 29;15(12):16162-16176. doi: 10.1021/acsami.2c21514. Epub 2023 Mar 16.
Interfacial structure optimization is important to enhance the thermal boundary conductance (TBC) as well as the overall performance of thermal conductive composites. In this work, the effect of interfacial roughness on the TBC between copper and diamond is investigated with molecular dynamics (MD) simulations and time-domain thermoreflectance (TDTR) experiments. It is found from MD simulations that the thermal transport efficiency across a rough interface is higher, and the TBC can be improved 5.5 times to 133 MW/m·K compared with that of the flat interface. Also, the TBC is only dominated by the actual contact area at the interface for larger roughness cases; thus, we conclude that the phonon scattering probability increases with the increase of roughness and becomes stable gradually. Finally, the TBC of the copper/diamond interface with different roughness is characterized by TDTR experiments, and the results also confirm the trend of MD simulations. This study demonstrates the feasibility of the roughness modification for interfacial thermal management from both theoretical analysis and experimental measurements and provides a new idea for enhancing the thermal conductivity of composites.
界面结构优化对于提高热边界电导（TBC）以及导热复合材料的整体性能至关重要。在这项工作中，通过分子动力学（MD）模拟和时域热反射（TDTR）实验研究了界面粗糙度对铜与金刚石之间TBC的影响。从MD模拟中发现，粗糙界面上的热传输效率更高，与平坦界面相比，TBC可提高5.5倍，达到133 MW/m·K。此外，对于较大粗糙度的情况，TBC仅由界面处的实际接触面积决定；因此，我们得出结论，声子散射概率随粗糙度的增加而增加，并逐渐趋于稳定。最后，通过TDTR实验对不同粗糙度的铜/金刚石界面的TBC进行了表征，结果也证实了MD模拟的趋势。本研究从理论分析和实验测量两方面证明了粗糙度改性用于界面热管理的可行性，并为提高复合材料的热导率提供了新思路。
