碳纳米管-石墨烯纳米带过渡连接处的力学稳定性与热传导性质研究

任何的非平面连接,材料连接处的材料失配都能导致材料局部或整体性质的改变.本文以纵向拉开的碳纳米管(CNT)为研究对象,采用非平衡态分子动力学(NEMD)的模拟方法,通过改变CNT纵向拉开的剧烈程度,即CNT向石墨烯纳米带(GNR)过渡转变的开角大小,研究其力学稳定性和热传导性质的变化.结果表明,CNT到GNR的过渡越剧烈,连接处的开角越大,其局部热导率越高,单位长度的热阻越小;对于不同管径的CNT来说,连接处的最大开角恒定不变,为16.3°.

Mechanical stability and thermal properties of the transition junction between carbon nanotubes and graphene nanoribbons

Any nonplanar connection, defect mechanism, or material adaptation at material joints can result in material properties being altered. In this paper, the longitudinal pull of carbon nanotubes (CNT) was taken as the research object, and the method of non-equilibrium molecular dynamics (NEMD) was adopted to study the thermal properties of CNT by changing the magnitude of the longitudinal pull, that is, the opening angle of the transition of CNT to graphene nanoribons (GNR).The results show that the more intense the transition from CNT to GNR, the larger the opening angle of the junction, the higher the local thermal conductivity, and the smaller the thermal resistance per unit length. For CNT with different pipe diameters, the maximum opening angle at the junction remains constant at 16.3°.