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Role of geometry and surface roughness in reducing phonon mean free path and lattice thermal conductivity of modulated nanowires

机译:几何形状和表面粗糙度在减小声子的作用意义自由路径和晶格导热率的调制纳米线

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摘要

Phonon transport simulations were performed to investigate the effects of geometry and surface roughness on the thermal conductivity of modulated nanowires. The finite volume method and ray tracing method were utilized to determine the phonon mean free path. The simulation results showed that the mean free path of the nanowire can be reduced by fabricating intricate structures under a constant ratio of surface area to volume. Then the specularity of the parts of the surfaces of the modulated nanowires was tuned. The simulations revealed that the impact of the specularity on the mean free path depends on the location of the surface whose specularity was tuned; in particular, the mean free path was sensitive to the specularity of the surfaces of neck parts but insensitive to that of other parts. Finally, the thermal conductivity was evaluated by using the simulated mean free path and other phonon transport properties obtained from first-principle calculations. It was found that optimization of the geometry and surface roughness can reduce sufficiently large thermal conductivities; this effect is beneficial in some semiconductor devices.
机译:进行声子传输模拟以研究几何形状和表面粗糙度对调制纳米线的导热率的影响。利用有限体积法和射线跟踪方法来确定声子是含义自由路径。模拟结果表明,通过在表面积与体积的恒定比率下制造复杂结构,可以降低纳米线的平均自由路径。然后调整调制纳米线的表面的部件的镜面。模拟表明,镜面对平均自由路径对平均自由路径的影响取决于其特调的表面的位置;特别地,平均自由路径对颈部表面的镜面非常敏感,但对其他部件的不敏感。最后,通过使用从第一原理计算获得的模拟平均自由路径和其他声子传输性能来评估导热率。结果发现,几何形状和表面粗糙度的优化可以减少足够大的导热性;这种效果在一些半导体器件中是有益的。

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