Mechanical Properties and Buckling of Kagome Graphene under Tension: A Molecular Dynamics Study

Trevor Wavrunek, Qing Peng*, Nidal Abu‐zahra

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

Kagome graphene is a carbon allotrope similar to graphene, with a single‐atom thickness and a co‐planar atomic structure. Despite interesting electronic properties, its mechanical behavior is still elusive. We have investigated the tensile properties of Kagome graphene under various strain rates and finite temperatures using molecular dynamics simulations. The Young’s modulus, ultimate tensile strength, fracture strain, and fracture toughness of the unsupported bulk material were measured as 96 GPa, 43 GPa, 0.05, and 1.9 J m−3, respectively, at room temperature and a strain rate of 109 s−1. Two deformation‐stages were observed under tensile loading: normal and wrinkled. Ini-tially, the Kagome graphene system stays in a co‐planar structure without wrinkling until the tensile strain reaches 0.04, where it starts to wrinkle, unlike graphene. The wrinkle wavelength and mag-nitude suggest a very low bending rigidity, and wrinkle formation does not follow a rate predicted by continuum mechanics. Furthermore, the fracture mechanism of wrinkled Kagome graphene is briefly discussed.

Original languageEnglish
Article number292
JournalCrystals
Volume12
Issue number2
DOIs
StatePublished - Feb 2022

Bibliographical note

Publisher Copyright:
© 2022 by the author. Licensee MDPI, Basel, Switzerland.

Keywords

  • Griffith brittle fracture
  • Kagome graphene
  • Mechanical properties
  • Molecular dynamics simulation
  • Wrinkling

ASJC Scopus subject areas

  • General Chemical Engineering
  • General Materials Science
  • Condensed Matter Physics
  • Inorganic Chemistry

Fingerprint

Dive into the research topics of 'Mechanical Properties and Buckling of Kagome Graphene under Tension: A Molecular Dynamics Study'. Together they form a unique fingerprint.

Cite this