原子与分子物理学报2017，Vol.34Issue(5)：931-935,5.DOI:10.3969/j.issn.1000-0364.2017.05.021
应力对石墨烯热输运性质影响的分子动力学模拟
Molecular dynamics simulation of the effect of stress on the thermal transport properties of graphene
摘要
Abstract
The thermal conductivity model of low dimensional thin film materials is established in this paper, non-equilibrium molecular dynamics simulation method is used to analysis thermal conductivity characteristics of the thermal conductivity area under the action of the monolayer graphene nanoribbons stress. The reliable experi-mental data are selected. The Fourier's law is used to calculate the thermal conductivity, and the results are com-pared with the complete graphene nanoribbons. Simulation results show that:1 ) The stress applied on graphene nanoribbons will cause the thermal conductivity of graphene nanoribbons increases as the stress increases, ther-mal conductivity increased by 261% in the heat conduction simulation range. 2 ) The change of thermal conduc-tivity will be affected by the stress direction. It provides a new idea for the further improvement of thermal con-ductivity on the nanometer scale.关键词
石墨烯纳米带/分子动力学/应力/热导率Key words
Graphene nanoribbons/Molecular dynamics/Stress/Thermal conductivity分类
化学化工引用本文复制引用
兰生,高新昀,李焜,原永滨..应力对石墨烯热输运性质影响的分子动力学模拟[J].原子与分子物理学报,2017,34(5):931-935,5.基金项目
福建省自然基金(2015J01194) （2015J01194）
