Size- and temperature-dependent thermal transport across a Cu-diamond interface: Non-equilibrium molecular dynamics simulations

doi:10.1016/j.surfin.2023.102736

IMECH-IR > 非线性力学国家重点实验室

	Size- and temperature-dependent thermal transport across a Cu-diamond interface: Non-equilibrium molecular dynamics simulations
	Huang, Hai ; Zhong, Yinghui ; Cai, Bin ; Wang, Jiefang ; Liu, Zhongxia ; Peng Q(彭庆)
发表期刊	SURFACES AND INTERFACES
	2023-04
卷号	37 页码:102736
ISSN	2468-0230
摘要	Cu-diamond composites (CDCs) have greatly promising applications in thermal management for high-power electronics because of their outstanding thermophysical properties. Nonetheless, many fundamental mecha-nisms of interfacial thermal transport for CDCs remain poorly understood at present. Here we focus on inves-tigating the size-and temperature-dependent thermal transport across a Cu-diamond interface using non -equilibrium molecular dynamics simulations. Results show that interfacial thermal conductance (ITC) is pro-portional to both the system size and ambient temperature. Especially, our predicted room-temperature ITC of 41.12 MW.m- 2.K-1 at an infinitely long system is close to that of the experiments after an interface optimization. Additionally, the ITC at the system with a length of 323.2 angstrom is increased by over 2.5 times in the temperature range of 100-500 K, up to 36.39 MW. m- 2. K-1. Detailed analyses of interfacial disorder and its concomitant effects, related to system size and temperature, are implemented for helping understand the significant improvement of ITC. The underlying mechanism is further uncovered by the phonon density of states as well as the spectral overlap factor at interfacial Cu and diamond. This study provides an important insight into the understanding of interfacial thermal transport in CDCs and a guideline for optimizing the design of CDCs in experiments.
关键词	Interfacial thermal transport Cu -diamond composites Size effects Temperature effects Non -equilibrium molecular dynamics
DOI	10.1016/j.surfin.2023.102736
收录类别	SCI
语种	英语
WOS记录号	WOS:000965566000001
项目资助者	National Natural Science Foundation of China [12105249] ; Key Project for Science and Technology Development of Henan Province [212102210195] ; Innovation Team Support Program for Cooperation of Young Talents & Enterprises in Zhengzhou University [32320368] ; Henan Province Postdoctoral Science Foundation [202102012] ; Research and Practice Project of Education and Teaching Reform in Zhengzhou University [2022ZZUJG173] ; State Key Lab- oratory of Nuclear Physics and Technology, Peking University [NPT2021KFJ05] ; Top Doctoral Talents Program of Zhengzhou University [21350621] ; National Supercomputing Center in Zhengzhou
论文分区	一类
力学所作者排名	1
RpAuthor	Huang, H ; Peng, Q
引用统计	被引频次：10[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/92282
专题	非线性力学国家重点实验室
作者单位	1.(Huang Hai, Zhong Yinghui, Cai Bin, Wang Jiefang, Liu Zhongxia) Zhengzhou Univ Sch Phys & Microelect Key Lab Mat Phys Minist Educ Zhengzhou 450052 Peoples R China 2.(Huang Hai, Zhong Yinghui, Cai Bin, Wang Jiefang, Liu Zhongxia) Zhengzhou Univ Inst Intelligent Sensing Zhengzhou 450001 Peoples R China 3.(Peng Qing) Chinese Acad Sci Inst Mech State Key Lab Nonlinear Mech Beijing 100190 Peoples R China
推荐引用方式 GB/T 7714	Huang, Hai,Zhong, Yinghui,Cai, Bin,et al. Size- and temperature-dependent thermal transport across a Cu-diamond interface: Non-equilibrium molecular dynamics simulations[J]. SURFACES AND INTERFACES,2023,37:102736.Rp_Au:Huang, H, Peng, Q
APA	Huang, Hai,Zhong, Yinghui,Cai, Bin,Wang, Jiefang,Liu, Zhongxia,&彭庆.(2023).Size- and temperature-dependent thermal transport across a Cu-diamond interface: Non-equilibrium molecular dynamics simulations.SURFACES AND INTERFACES,37,102736.
MLA	Huang, Hai,et al."Size- and temperature-dependent thermal transport across a Cu-diamond interface: Non-equilibrium molecular dynamics simulations".SURFACES AND INTERFACES 37(2023):102736.

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