• 文献标题:   Molecular Dynamics Investigation on Thermal Conductivity and Photon Behaviors of Graphene With Sierpinski Carpet Fractal Defects
  • 文献类型:   Article
  • 作  者:   YU W, WU YJ, SHAO XX, WANG XW
  • 作者关键词:   molecular dynamics simulation, thermal conductivity, sierpinski carpet fractal structure, defect, photon behavior
  • 出版物名称:   FRONTIERS IN ENERGY RESEARCH
  • ISSN:   2296-598X
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.3389/fenrg.2021.819395
  • 出版年:   2022

▎ 摘  要

The thermal conductivity (TC) of graphene with Sierpinski carpet fractal (SCF) and regular carpet (RC) defects is numerically studied by the non-equilibrium molecular dynamics (NEMD) method. The influences of porosity, fractal levels, and types of defects on the TC of graphene are clarified, and the underlying mechanisms of phonon behaviors are uncovered. The numerical results indicate that the defects in graphene induce the atoms that have the heat transfer blockage effect, and thus, the TC of defective graphene decreases with increasing porosity. With the increase in fractal levels, more atoms have the heat transfer blockage effect, which induces the TC of graphene with SCF defects to sharply decrease. Moreover, compared with the graphene with RC defects, more atoms participate in the heat transfer blockage under the graphene with SCF defects, which leads to the lower TC of graphene with SCF defects.