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室温下亚微米级石墨烯纳米带中的准弹道热输运

Quasiballistic thermal transport in submicron-scale graphene nanoribbons at room-temperature.

作者信息

So Soonsung, Seol Jae Hun, Lee Joo-Hyoung

机构信息

School of Materials Science and Engineering, Gwangju Institute of Science and Technology (GIST) Buk-gu Gwangju 61005 Korea

School of Mechanical Engineering, Gwangju Institute of Science and Technology (GIST) Buk-gu Gwangju 61005 Korea

出版信息

Nanoscale Adv. 2024 Apr 23;6(11):2919-2927. doi: 10.1039/d4na00261j. eCollection 2024 May 29.

Abstract

Phonon transport in two-dimensional materials has been the subject of intensive studies both theoretically and experimentally. Recently observed unique phenomena such as Poiseuille flow at low temperature in graphene nanoribbons (GNRs) initiated strong interest in similar effects at higher temperatures. Here, we carry out massive molecular dynamics simulations to examine thermal transport in GNRs at room temperature (RT) and demonstrate that non-diffusive behaviors including Poiseuille-like local thermal conductivity and second sound are obtained, indicating quasiballistic thermal transport. For narrow GNRs, a Poiseuille-like thermal conductivity profile develops across the nanoribbon width, and wider GNRs exhibit a mixed nature of phonon transport in that diffusive transport is dominant in the middle region whereas non-uniform behavior is observed near lateral GNR boundaries. In addition, transient heating simulations reveal that the driftless second sound can propagate through GNRs regardless of the GNR width. By decomposing the atomic motion into out-of-plane and in-plane modes, it is further shown that the observed quasiballistic thermal transport is primarily contributed by the out-of-plane motion of C atoms in GNRs.

摘要

二维材料中的声子输运一直是理论和实验研究的热点。最近在石墨烯纳米带(GNRs)中观察到的独特现象,如低温下的泊肃叶流,引发了人们对高温下类似效应的浓厚兴趣。在此,我们进行了大量分子动力学模拟,以研究室温(RT)下GNRs中的热输运,并证明获得了包括类泊肃叶局部热导率和第二声在内的非扩散行为,表明存在准弹道热输运。对于窄GNRs,类泊肃叶热导率分布在纳米带宽度上形成,而较宽的GNRs表现出声子输运的混合性质,即扩散输运在中间区域占主导,而在GNRs横向边界附近观察到非均匀行为。此外,瞬态加热模拟表明,无漂移的第二声可以穿过GNRs,而与GNRs宽度无关。通过将原子运动分解为面外和面内模式,进一步表明观察到的准弹道热输运主要由GNRs中C原子的面外运动贡献。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba3d/11134267/81feca681414/d4na00261j-f1.jpg

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