A molecular dynamics study of the mechanical properties of graphene nanoribbon-embedded gold composites

Nanoscale. 2011 Oct 5;3(10):4307-13. doi: 10.1039/c1nr10664c. Epub 2011 Sep 9.

Abstract

Molecular dynamics simulations were performed to investigate the mechanical properties of a single-crystal gold nanosheet and graphene nanoribbon-embedded gold (GNR/Au) composites for various embedded locations, temperatures, and lengths. The computational results show that the Young's modulus, tensile strength, and fracture strain of GNR/Au composites are much larger than those of pure gold. The mechanical properties of GNR/Au composites deteriorate drastically due to C-C bond breaking. Thermal fluctuation and an increase in length can decrease the mechanical properties of GNR/Au composites.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carbon / chemistry
  • Gold / chemistry*
  • Graphite / chemistry*
  • Molecular Dynamics Simulation*
  • Nanotubes, Carbon / chemistry*
  • Temperature

Substances

  • Nanotubes, Carbon
  • Carbon
  • Gold
  • Graphite