• 文献标题:   Molecular Dynamics Studies on Ballistic Thermal Resistance of Graphene Nano-Junctions
  • 文献类型:   Article
  • 作  者:   YAO WJ, CAO BY
  • 作者关键词:   graphene, ballistic resistance, molecular dynamics simulation
  • 出版物名称:   COMMUNICATIONS IN THEORETICAL PHYSICS
  • ISSN:   0253-6102 EI 1572-9494
  • 通讯作者地址:   Tsinghua Univ
  • 被引频次:   2
  • DOI:   10.1088/0253-6102/63/5/619
  • 出版年:   2015

▎ 摘  要

Ballistic thermal resistance of graphene nano-junctions is investigated using non-equilibrium molecular dynamics simulation. The simulation system is consisted of two symmetrical trapezoidal or rectangular graphene nano-ribbons (GNRs) and a connecting nanoscale constriction in between. From the simulated temperature profile, a big temperature jump resulted from the constriction is found, which is proportional to the heat current and corresponds to a local ballistic thermal resistance. Fixing the constriction width and the length of GNRs, this ballistic thermal resistance is independent of the width of the GNRs bottom layer, i.e., the convex angle. But interestingly, this thermal resistance has obvious size effect. It is inversely proportional to the constriction width and will disappear with the constriction being wider. Moreover, based on the phonon dynamics theory, a theoretical model of the ballistic thermal resistance in two-dimensional nano-systems is developed, which gives a good explanation on micro cosmic level and agrees well with the simulation result quantitatively and qualitatively.