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Theoretical analysis of cross-plane lattice thermal conduction in graphite

机译:石墨中横平面晶格热传导的理论分析

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摘要

A theoretical analysis of the cross-plane lattice thermal conduction in graphite is performed by using first-principles calculations and in the single-mode relaxation time approximation. The out-of-plane phonon acoustic mode ZA and op-tical mode ZO′have almost 80%and 20%of contributions to cross-plane heat transfer, respectively. However, these two branches have a small part of total specific heat above 300 K. Phonons in the central 16%of Brillouin zone contribute 80%of cross-plane transport. If the group velocity angle with respect to the graphite layer normal is less than 30?, then the contribution is 50%at 300 K. The ZA phonons with long cross-plane mean free path are focused in the cross-plane direction, and the largest mean free path is on the order of several micrometers at room temperature. The average value of cross-plane mean free path at 300 K is 112 nm for ZA phonons with group velocity angle with respect to the layer normal being less than 15?. The average value is dropped to 15 nm when phonons of all branches in the whole Brillouin zone are taken into account, which happens because most phonons have small or even no contributions.
机译:通过使用第一性原理计算和单模弛豫时间近似,对石墨中的跨平面晶格导热进行了理论分析。平面外声子声学模式ZA和光学模式ZO'对跨平面传热的贡献分别接近80%和20%。但是,这两个分支的总比热只有一小部分在300 K以上。布里渊区中部16%的声子占跨平面传输的80%。如果相对于石墨层法线的群速度角小于30θ,则在300 K时的贡献为50%。具有较长横断面平均自由程的ZA声子集中在横断面方向,并且在室温下,最大平均自由程约为几微米。 ZA声子在300 K时的横断面平均自由程的平均值为112 nm,相对于层法线的群速度角小于15θ。当考虑到整个布里渊区中所有分支的声子时,平均值降至15 nm,这是因为大多数声子贡献很小甚至没有贡献。

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  • 来源
    《中国物理:英文版》 |2019年第6期|357-364|共8页
  • 作者

    Yun-Feng Gu;

  • 作者单位

    College of Electronic and Mechanical Engineering, Nanjing Forestry University, Nanjing 210037, China;

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  • 正文语种 eng
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