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提出了一基于Sierpinski分形结构的Si/Ge纳米复合材料结构,以调控纳米复合材料的热导率.采用非平衡分子动力学方法模拟研究了分形结构Si/Ge纳米复合材料的导热性能,给出了硅原子百分比、轴向长度以及截面尺寸对分形结构纳米复合材料热导率的影响规律,并与传统矩形结构进行了对比.研究结果表明,分形结构纳米复合材料增强了Si/Ge界面散射作用,使得热导率低于传统矩形结构,这为提高材料的热电效率提供了有效途径.Si原子百分比、截面尺寸、轴向长度皆对分形结构纳米复合材料热导率存在着重要影响.纳米复合材料热导率随着Si原子百分比的增加呈先减小后增加的趋势,随轴向长度的增加则呈单调增大趋势.
A Si / Ge nanocomposite structure based on the Sierpinski fractal structure was proposed to control the thermal conductivity of the nanocomposites. The thermal conductivity of the fractal Si / Ge nanocomposites was simulated by unbalanced molecular dynamics The influence of silicon atomic percentage, axial length and cross-section size on the thermal conductivity of the fractal nanocomposites was compared with that of the conventional rectangular structure.The results show that the fractal structure of the nanocomposite enhances the Si / Ge interface scattering , Making the thermal conductivity lower than the traditional rectangular structure, which provides an effective way to improve the thermoelectric efficiency of the material.Si atomic percentage, cross-sectional size, axial length of the fractal structure of nanocomposites have a significant impact on the thermal conductivity of nano-composite The thermal conductivity of the material decreases first and then increases with increasing atomic percentage of Si, and increases monotonically with the axial length.