• 文献标题:   Modeling of cross-plane interface thermal conductance between graphene nano-ribbons
  • 文献类型:   Article
  • 作  者:   VARSHNEY V, LEE J, FARMER BL, VOEVODIN AA, ROY AK
  • 作者关键词:   molecular dynamic, graphene nanoribbon, interface thermal conductance, edge roughnes, tensile strain, temperature dependence
  • 出版物名称:   2D MATERIALS
  • ISSN:   2053-1583
  • 通讯作者地址:   Air Force Res Lab
  • 被引频次:   9
  • DOI:   10.1088/2053-1583/1/2/025005
  • 出版年:   2014

▎ 摘  要

Using non-equilibrium molecular dynamics for thermal energy transfer, we investigate the interfacial thermal conductance between non-covalently interacting graphene nano-ribbons (GNRs) of varying lengths and widths in a cross-contact (x-shaped) geometry. Our results show that the out-of-plane conductance between GNRs can vary significantly (up to a factor of 4) depending upon their geometric parameters. We observe that when plotted against aspect ratio, the predicted interface thermal conductance values fit excellently on a single master-plot with a logarithmic scaling, suggesting the importance of GNR aspect ratio towards thermal conductance. We propose a model based on incorporating different thermal conductance characteristics of edge and inner interacting regions which predicts the observed logarithmic dependence on aspect ratio. We also study the effect of graphene edge roughness, temperature, and strain on out-of-plane thermal conductance and discuss the observed results based on local vibrational characteristics of atoms within interacting region, number of interacting phonons, and the degree to which they interact across the interaction zone.