纳尺度热传导中声子波动行为的物理及建模

doi:10.19596/j.cnki.1001-246x.9000

摘要/Abstract

摘要：

纳尺度热传导因其内在载热声子表现出独特的输运行为, 以及其解决电子器件热管理问题和提升热电转化能力中的巨大潜力, 在近年来引发了广泛关注。本文回顾了近三十年纳尺度热传导理论和模拟方面的研究进展, 特别是介绍并讨论了纳尺度相干热传导机制和基于波动和粒子两种图像的研究方法, 以及这些方法在描述载热声子波动行为上的优势和局限。最后, 剖析了纳尺度热传导研究领域面临的挑战并展望了未来可能的发展方向, 以期推动对载热声子波粒二象性的深入理解, 并促进其在关键领域中的应用。

关键词: 纳尺度热传导, 相干热传导, 声子热输运, 波动效应

Abstract:

Nanoscale heat conduction has attracted considerable attention due to the unique transport behaviors exhibited by its intrinsic heat-carrying phonons, as well as its significant potential in addressing thermal management issues in electronic devices and enhancing thermoelectric conversion efficiency. This paper reviews the research progress in nanoscale heat conduction theory and simulations over the past three decades. It particularly introduces and discusses methods based on both wave and particle perspectives, focusing on nanoscale coherent thermal conduction mechanisms. Finally, the paper analyzes the challenges facing the field of nanoscale heat conduction research and outlines potential future directions, aiming to deepen the understanding of the wave-particle duality of heat-carrying phonons and promote their application in critical areas.

Key words: nanoscale heat conduction, coherent heat conduction, phonon thermal transport, wave effects

刘彬, 黄云帆, 王沫然. 纳尺度热传导中声子波动行为的物理及建模[J]. 计算物理, 2024, 41(6): 746-771.

Bin LIU, Yunfan HUANG, Moran WANG. Physics and Modeling of Phonon Wave Behaviors in Nanoscale Heat Conduction[J]. Chinese Journal of Computational Physics, 2024, 41(6): 746-771.

图/表 9

图1 声子频谱的信息和能量传递[128]

Fig.1 Information and energy transfer by phonon spectrum[128]

图2 用于相干热传导调控的不同类型的PnCs[60-61, 65, 67, 69, 72-73, 91-92, 128, 146]

Fig.2 Different types of PnCs for manipulating coherent heat conduction[60-61, 65, 67, 69, 72-73, 91-92, 128, 146]

图3 (a) SLs的周期单元示意图和(b)Si/Ge和GaAs/AlAs SLs的声子色散[95]；周期和非周期SLs的(c)结构示意图、(d)热导率和(e)声子色散[63]

Fig.3 (a)Schematic image of a unit period in SLs and(b)phonon dispersions of Si/Ge and GaAs/AlAs SLs[95]; (c)schematic, (d)thermal conductivity and(e)phonon dispersions of periodic and aperiodic superlattice[63]

图4 (a) 周期厚度恒定的GaAs/AlAs SLs和(b)其热导率测量值[48]；(c)界面和薄膜内的声子波散射和(d)薄膜热导的EWM计算值[94]；(e)GaAs/AlAs SLs和单一界面的声子能量透射谱[188]

Fig.4 (a)GaAs/AlAs SLs with constant period thickness and(b)their measured thermal conductivity[48]; (c)reflection and transmission of phonon waves at the interface and in the film and(d)calculated thermal conductance of a thin film by EWM[94]; (e)phonon energy transmission spectra of GaAs/AlAs SLs and single interface[188]

图5 (a) 界面平滑和粗糙Si/Ge SLs的热导率[174]；(b)Al/Si粗糙界面[204]；(c)Al/Si界面热导随粗糙度的变化[203]

Fig.5 (a)Thermal conductivity of Si/Ge SLs with smooth and rough interfaces[174]; (b)TEM micrographs of Al/Si rough interface[204]; (c)interfacial thermal conductance of Al/Si interfaces as a function of roughness[203]

图6 (a)不同ErAs界面覆盖率的GaAs/AlAs SLs的热导率随其长度的变化[60]；(b)遗传算法优化方法示意图[207]；(c)周期和非周期SLs的热导率随平均周期厚度的变化[207]；(d)非周期SLs内的声子弹道、传输和局域模式[65]

Fig.6 (a)Thermal conductivity versus length of GaAs/ AlAs SLs with different ErAs interfacial coverage[60]; (b)schematic of the genetic algorithm based optimization method[207]; (c)variation of thermal conductivity with average period thickness for periodic and aperiodic SLs[207]; (d)phonon ballistic, propagating and localized mode in aperiodic SLs[65]

图7 (a) 具有柱状结构的硅薄膜与对应均质薄膜的声子色散和热导率对比[89]；(b)具有柱体阵列的硅薄膜结构示意图[90]；(c)不同结构硅纳米线的声子MFP[91]；(d)硅纳米线交叉结的热导率[92]

Fig.7 (a)Comparison of the phonon dispersion and thermal conductivity of a pillared silicon thin film with a corresponding uniform thin film[89]; (b)schematic of silicon membrane with pillar arrays[90]; (c)phonon MFP of silicon nanowires with different structures[91]; (d)thermal conductivity of silicon nanowire cross junction[92]

图8 (a) CaTiO3/SrTiO3 SLs热导率测量值[50]；(b)石墨烯/硼氮化物SLs热导率[222]；(c)Tl3VSe4内声子衰减随相关时间的变化[199]；(d)非晶硅热导率理论和测量值[200]；石墨烯同位素SLs纳米带的(e)示意图和(f)热导率[122]

Fig.8 (a)Measured thermal conductivity of CaTiO3/SrTiO3 SLs[50]; (b)thermal conductivity of graphene/hBN SLs[222]; (c)phonon decay versus correlation time in Tl3VSe4[199]; (d)theoretical and measured thermal conductivities of amorphous silicon[200]; (e)schematic of the isotopic-superlattice graphene nanoribbon and(f)its thermal conductivity[118]

图9 (a) 周期/非周期SLs的热导率和声子MFP[230]；(b)室温体硅材料的声子MFP[127]；(c)相干/非相干转换频率与粗糙度的依赖关系[243]；(d)SLs中的声子特征长度[229]；(e)硅的累积热导率随声子波长和MFP的变化[97]

Fig.9 (a)Thermal conductivity and phonon MFP of periodic and aperiodic SLs[230]; (b)phonon mean free path of bulk Si at room temperature; (c)coherent/incoherent switching frequency as a function of roughness size[243]; (d)phonon characteristic lengths involved in SLs[229]; (e)accumulated thermal conductivity of silicon as a function of phonon wavelength and MFP[97]

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