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Shape and size effects of the pore on the mechanical properties of nanoporous graphene membranes

  • Cristopher J. Cabanillas-Casas
  • , Gustavo Cuba-Supanta
  • , Justo Rojas-Tapia
  • , Chachi Rojas-Ayala
  • Universidad Nacional Mayor de San Marcos

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

Abstract

In this work, effects of shape and size of the pores on the mechanical properties of nanoporous graphene (NPG) membranes are studied. Molecular dynamics simulations were performed to study the mechanical and structural responses under uniaxial traction. The results of the stress-strain curves of NPG membranes show an elastic linear behavior for small strain (<0.03) independent of the chiral direction. The chiral anisotropy (armchair and zigzag direction) is notable as deformation increases to the point of fracture. The NPG membranes with hexagonal and rectangular pores present a higher fracture stress (65 GPa and 81 GPa, respectively). Furthermore, Young’s elastic modulus decreases as pore size increases (porosity). This study is expected to provide practical application as high performance membrane filters.

Translated title of the contributionEfectos de forma y tamaño del poro sobre las propiedades mecánicas de las membranas del grafeno nanoporoso
Original languageEnglish
Pages (from-to)63-78
Number of pages16
JournalMomento
Volume2021
Issue number62
DOIs
StatePublished - 2021
Externally publishedYes

Keywords

  • Fracture
  • Graphene with nanoporous
  • Molecular dynamics
  • Stress-Strain curves
  • Young’s modulus

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