石墨烯薄膜与半导体界面热输运规律  

Study on thermal transport at interface between graphene film and semiconductor

作　　者：刘明 徐伟华 许康[2] 王照亮[2] LIU Ming;XU Weihua;XU Kang;WANG Zhaoliang(Petroleum Engineering and Technology Institute of Shengli Oilfield Branch, SINOPEC, Shandong Provincial Key Laboratory of Heavy Oil Recover, Dongying 257000, China;College of New Energy in China University of Petroleum(East China), Qingdao 266580, China)

机构地区：[1]中国石化胜利油田分公司石油工程技术研究院,山东省稠油开采技术重点实验室,山东东营257000 [2]中国石油大学(华东)新能源学院,山东青岛266580

出　　处：《中国石油大学学报（自然科学版）》2020年第6期103-108,共6页Journal of China University of Petroleum(Edition of Natural Science)

基　　金：国家自然科学基金项目(51876223);山东省自然科学基金项目(ZR201807060413)。

摘　　要：界面热阻是影响热输运过程的关键因素,应用非平衡分子动力学方法研究石墨烯薄膜与半导体(硅、氮化镓)之间的热输运规律,研究温度、石墨烯层数对界面热输运过程的影响。通过声子态密度曲线,分析界面两侧声子的耦合程度,从而分析影响热输运的内部因素。结果表明随着温度升高,硅与石墨烯之间的界面热导及氮化镓与石墨烯之间的界面热导均呈增加趋势,这主要是由于随着温度升高,原子间声子态密度的耦合程度增加;随着石墨烯层数增加,界面热导呈下降趋势,下降速度逐渐减弱;硅与石墨烯之间的界面热导小于氮化镓和石墨烯之间的界面热导值;随着温度升高,氮化镓基体与石墨烯之间界面热导值的增长幅度要大于硅基体与石墨烯之间界面热导的增长幅度。The interfacial thermal resistance is a key factor affecting the thermal transport process.The thermal transport characteristics between the graphene film and semiconductor(Si,GaN),and the effects of temperature and graphene layer number on the interfacial thermal transport process were investigated by the non-equilibrium molecular dynamics simulation.The coupling degree of phonons on both sides of the interface was obtained via the phonon density of states,and the internal influencing factors of interfacial thermal transport was further analyzed.The results show that the interfacial thermal conductivities of the Si-graphene and GaN-graphene both increase when the temperature increases,as the coupling degree of VDOS increases with the increase of temperature.With the increase of the number of graphene layers,the interfacial thermal conductivity shows a downward trend while the rate of descending gradually decreases.The interfacial thermal conductivity of the Si-graphene is smaller than that of the GaN-graphene.With the increase of temperature,the increase of the interfacial thermal conductivity of GaN-graphene is larger than that of Si-graphene.

关 键 词：分子动力学模拟 界面热输运 石墨烯 声子 

分 类 号：O551[理学—热学与物质分子运动论]