• 文献标题:   Tuning the mechanical properties of nanoporous graphene: a molecular dynamics study
  • 文献类型:   Article
  • 作  者:   HAN TW, JIANG T, WANG XY, LI PP, QIAO LR, ZHANG XY
  • 作者关键词:   mechanical propertie, molecular dynamic, nanoporous graphene
  • 出版物名称:   MATERIALS RESEARCH EXPRESS
  • ISSN:  
  • 通讯作者地址:   Jiangsu Univ
  • 被引频次:   1
  • DOI:   10.1088/2053-1591/ab3331
  • 出版年:   2019

▎ 摘  要

Nanoporous graphene (NPG) has emerged as a promising choice for the application of filtration such as seawater desalination and gas separation. In this paper, the mechanical response and the fracture behaviors of NP Gunder axial tensile loading were systematically investigated using classical molecular dynamics (MD) simulations. The influence of the size and spacing of the nanopores on the fundamental mechanical properties of NPG were investigated and analyzed. The results show that the nanopores can significantly weaken the Young's modulus, ultimate strength and fracture strain of graphene, which is inherently originated from the high stress concentrations near the nanopores normal to the loading direction. In addition, it is also found that the nanopore size and spacing have significant influence on the mechanical properties of NPG. The Young's modulus decreases with the rising nanopores spacing. Both the Young's modulus and ultimate strength of NPG decrease as the size of the nanopores increases. These results may provide helpful guidance for the design of NPG filtration membrane with high performance.