Interlayer surface modification modulating thermal transport at Si/Gr/HEA heterostructure interfaces

IF 4.9 2区工程技术 Q1 ENGINEERING, MECHANICAL

International Journal of Thermal Sciences Pub Date : 2024-11-28 DOI:10.1016/j.ijthermalsci.2024.109565

Yinjie Shen , Haiying Yang , Kunlong Cao , Ping Yang

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引用次数: 0

Abstract

We investigate the effect of nanoslot modification and defects on the interfacial thermal resistance (ITR) of silicon/graphene/FeNiCrCoCu vdW heterostructures (Si/Gr/HEA) by using molecular dynamics (MD). The results show the triangular and rectangular nanoslots have opposite trends for changing on ITR. When the number of nanoslots in the system increases to seven, the ITR of the triangular nanoslots decreases by 41.47 %. It shows that ITR strongly depends on the type and concentration of all three defects. By analyzing the phonon density of states (PDOS), phonon coupling coefficient (S), phonon participation rate (PPR), and phonon coupling spectral decomposition (PCSD), the results show that the construction of triangular nanoslots induced strong local pressure in Gr layer, resulting in enhanced interface phonon coupling and decreased ITR. The decrease of ITR caused by single vacancy defect (SV) is mainly due to the increase of PPR in 10–15 THz and 22–30 THz frequencies in the Gr layer, and the increase of non-localized phonon mode. This means that it is possible to improve the heat conduction of Si/Gr/HEA vdW heterogeneous devices.

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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.