空位缺陷对碳纳米管/石墨烯纳米带导热的影响  

Effect of Vacancy Defects on Thermal Conductivity of Carbon Nanotubes and Graphene Nanoribbons

作　　者：崔柳 张一迪 魏高升[1] 冯妍卉 杜小泽[1] CUI Liu1 ,ZHANG Yi-Di1, WEI Gao-Sheng1, FENG Yan-Hui2, DU Xiao-Ze1(1 Key Laboratory of Condition Monitoring and Control for Power Plant Equipment of Ministry of Education, North China Electric Power University, Beijing 102206, China;2 School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, Chin)

机构地区：[1]华北电力大学电站设备状态监测与控制教育部重点实验室,北京102206 [2]北京科技大学能源与环境工程学院,北京100083

出　　处：《工程热物理学报》2018年第4期848-851,共4页Journal of Engineering Thermophysics

基　　金：国家自然科学基金资助项目(No.51676069;No.51376060)

摘　　要：本文利用分子动力学方法研究空位缺陷对碳纳米管和石墨烯纳米带导热特性的影响,并分析声子态密度、声子模式参与率探究导热机理。研究表明:空位缺陷引起碳管和纳米带热导率降低,在200～600 K的温度范围内,碳管和纳米带热导率的下降幅度分别可达47.57%、38.84%.碳管和纳米带热导率的降低归因于声子态密度衰减且声子模式参与率较小.由于边界散射作用削弱了缺陷对纳米带热导率的影响,纳米带热导率的降低幅度低于碳管.The thermal conductivity of carbon nanotubes （CNTs） and graphene nanoribbons （GNRs） with vacancy defects are calculated by non-equilibrium molecular dynamics simulations. The results show that the vacancies have adverse effect on heat conduction of CNTs and GNRs. In the temperature range of 200-600 K, the thermal conductivity of CNTs and GNRs decreases 47.57% and 38.84%, respectively. We observe that the low thermal conductivity stems from the enhanced phonon scatterings and strong phonon localizations, as evidenced by the vibrational density of states attenuation and participarin ratio reduction. The thermal conductivity reduction ratio in GNRs is less than that in CNTs. This phenomenon is related to the edge scattering in GNRs.

关 键 词：碳纳米管 石墨烯纳米带 空位缺陷 热导率 声子模式 

分 类 号：TK124[动力工程及工程热物理—工程热物理]