• 文献标题:   Tension dynamics of graphene oxide and peculiar change of yield strain
  • 文献类型:   Article
  • 作  者:   YANG Z, SUN YJ
  • 作者关键词:   graphene oxide, tension, dynamic simulation, yield strain, fracture mechanism
  • 出版物名称:   APPLIED NANOSCIENCE
  • ISSN:   2190-5509 EI 2190-5517
  • 通讯作者地址:   Xihua Univ
  • 被引频次:   0
  • DOI:   10.1007/s13204-020-01256-7
  • 出版年:   2020

▎ 摘  要

Tension dynamics is key to graphene oxide (GO) when composited in flexible materials, and there is still lack of some dynamic pictures to show how it is affected by oxidation level. In this paper, uniaxial tension of GO with different oxygen-containing functional groups densities (R) are simulated by molecular dynamics. It is indicated that the elastic modulus and ultimate stress both decrease with increasing R, especially when R < 30%. The yield strain along AC-orientation falls after rises because of the R-depended fractural mechanisms: when R is small, cracks initiate from the distorted carbon bonds connecting to oxygen-containing groups and propagate along the ZZ-orientation, or else, cracks start from the point defects and expands by consolidating point defects; when loaded along the ZZ-orientation, however, fractures are edge dominated. Our research suggests that introducing oxygen-containing groups would be a feasible strategy to improve the deformability of graphene oxide.