Quantifying particle and wave effects in phonon transport of pillared graphene nanoribbons

IF 4.9 2区工程技术 Q1 ENGINEERING, MECHANICAL

International Journal of Thermal Sciences Pub Date : 2025-06-24 DOI:10.1016/j.ijthermalsci.2025.110067

Shixian Liu , Zhicheng Zong , Fei Yin , V.I. Khvesyuk , Nuo Yang

引用次数: 0

Abstract

This study investigates the dual nature of phonons — encompassing both particle-like and wave-like behaviors — and their roles in thermal transport within pillared graphene nanoribbons (PGNRs). Monte Carlo simulations are employed to evaluate how the presence of pillars affects the thermal conductivity of graphene nanoribbons (GNRs), revealing that pillars significantly reduce thermal conductivity by enhancing phonon-boundary scattering, thereby emphasizing particle effects. A comparison with molecular dynamics simulations enables quantitative assessment of the respective contributions of particle and wave phenomena to the observed reduction in thermal conductivity. Notably, as the width of PGNRs decreases, the influence of wave effects initially increases and then diminishes, suggesting a saturation behavior. Furthermore, this study introduces and evaluates the concept of phonon resonance hybridization depth in PGNRs.

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柱状石墨烯纳米带声子输运中的粒子和波效应量化

本研究探讨了声子的双重性质——包括粒子状和波状行为——以及它们在柱状石墨烯纳米带（pgnr）内热传输中的作用。采用蒙特卡罗模拟来评估柱的存在如何影响石墨烯纳米带（gnr）的热导率，揭示柱通过增强声子边界散射显著降低热导率，从而强调粒子效应。通过与分子动力学模拟的比较，可以定量评估粒子和波现象对观察到的热导率降低的各自贡献。值得注意的是，随着pgnr宽度的减小，波效应的影响先增大后减小，呈现出一种饱和现象。此外，本研究引入并评价了pgnr中声子共振杂化深度的概念。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

International Journal of Thermal Sciences 工程技术-工程：机械

CiteScore

8.10

自引率

11.10%

发文量

531

审稿时长

55 days

期刊介绍： The International Journal of Thermal Sciences is a journal devoted to the publication of fundamental studies on the physics of transfer processes in general, with an emphasis on thermal aspects and also applied research on various processes, energy systems and the environment. Articles are published in English and French, and are subject to peer review. The fundamental subjects considered within the scope of the journal are: * Heat and relevant mass transfer at all scales (nano, micro and macro) and in all types of material (heterogeneous, composites, biological,...) and fluid flow * Forced, natural or mixed convection in reactive or non-reactive media * Single or multi–phase fluid flow with or without phase change * Near–and far–field radiative heat transfer * Combined modes of heat transfer in complex systems (for example, plasmas, biological, geological,...) * Multiscale modelling The applied research topics include: * Heat exchangers, heat pipes, cooling processes * Transport phenomena taking place in industrial processes (chemical, food and agricultural, metallurgical, space and aeronautical, automobile industries) * Nano–and micro–technology for energy, space, biosystems and devices * Heat transport analysis in advanced systems * Impact of energy–related processes on environment, and emerging energy systems The study of thermophysical properties of materials and fluids, thermal measurement techniques, inverse methods, and the developments of experimental methods are within the scope of the International Journal of Thermal Sciences which also covers the modelling, and numerical methods applied to thermal transfer.