• 文献标题:   Tensile properties of pillared graphene block
  • 文献类型:   Article
  • 作  者:   AMIRI H, MOHANDESI JA, MARASHI P
  • 作者关键词:   md simulation, uniaxial tensile test, cnt, graphene, hybrid nanostructure, pgb
  • 出版物名称:   MATERIALS SCIENCE ENGINEERING BADVANCED FUNCTIONAL SOLIDSTATE MATERIALS
  • ISSN:   0921-5107 EI 1873-4944
  • 通讯作者地址:   Amirkabir Univ Technol
  • 被引频次:   0
  • DOI:   10.1016/j.mseb.2020.114557
  • 出版年:   2020

▎ 摘  要

Tensile properties of pillared graphene block (PGB) nanostructure are studied in this paper. This nanostructure is composed of four pillared graphene nanostructures connected to each other in a special order which preserves the honeycomb molecular bond order of graphene. Molecular dynamics simulations using AIREBO potential are utilized to investigate the tensile properties and thermodynamic stability of the nanostructure. Four structural parameters are defined for PGB nanostructure. By assigning different values to these geometrical parameters, 28 prototypes are virtually produced. Potential energy profile of each sample is traced to evaluate thermodynamic stability. After relaxation of the nanostructures, virtual uniaxial tensile tests are applied to assess the tensile properties in three dimensions. Young's modulus, fracture strength and fracture strain for each sample are obtained. All samples are thermodynamically stable having high Young's modulus and fracture strength. The strongest sample has fracture strength of 21.5 GPa and Young's modulus of 144 GPa.