修改声错配模型和扩散错配模型以准确预测低温下的界面导热率

Nourhan Barakat, Fouad El Haj Hassan, Michel Kazan
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摘要

休斯顿布里渊区声子模式求和方法用于排除特定对称性声子模式的镜面反射,从而在声子热流从较重介质入射到较轻介质时修改声错配模型。休斯顿方法还用于强加高对称性各方向的声子数量守恒,从而修改了详细平衡理论和扩散错配模型。基于声子在界面上处于平衡状态并通过双声子弹性过程进行镜面或弥散传输的假设,修正的声错配模型和修正的弥散错配模型之间的插值导致了低温界面热导的一般分析形式主义。德拜温度是推导公式中的唯一参数,通过将数值比热值与德拜比热表达式同化,将其表示为温度的函数。以前对不同材料之间光滑和粗糙界面的热传导测量结果可以在不调整模型参数的情况下以数值形式再现,这证明了修改声错配模型和扩散错配模型的重要性,并支持了非谐波过程在低于环境温度的界面热传输中作用微乎其微的假设。考虑到硅锗纳米复合材料在热电应用方面的潜力,所开发的形式主义被用于研究硅和锗之间界面的热传导。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Modification of the Acoustic Mismatch Model and Diffuse Mismatch Model for Accurate Prediction of Interface Thermal Conductance At Low Temperatures
Houston's method for summing phonon modes in the Brillouin zone is applied to exclude specular transmission of phonon modes of specific symmetries, thus, modifying the Acoustic Mismatch Model when phonon heat flux is incident from a heavier to a lighter medium. The Houston method is also used to impose conservation of the number of phonons in each direction of high symmetry, thus modifying the detailed balance theorem and the Diffuse Mismatch Model. Based on the assumption that phonons are in equilibrium at the interface and are transmitted specularly or diffusely by two-phonon elastic processes, interpolation between the modified Acoustic Mismatch Model and the modified Diffuse Mismatch Model has led to a general analytical formalism for low-temperature interface thermal conductance. The Debye temperature, the only parameter in the derived formalism, is expressed as a function of temperature by assimilating numerically obtained specific heat values to the Debye expression for specific heat. Previous measurements of the thermal conductance of smooth and rough interfaces between dissimilar materials could be reproduced numerically without adjustment of model parameters, demonstrating the importance of modifications to the Acoustic Mismatch Model and the Diffuse Mismatch Model, and supporting the hypothesis that anharmonic processes play a minimal role in heat transport across interfaces below ambient temperature. The formalism developed is used to study the thermal conductance of the interface between silicon and germanium because of the potential of silicon-germanium nanocomposites for thermoelectric applications.
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