No Cover Image

Journal article 841 views 221 downloads

Buckling of Carbon Honeycombs: A New Mechanism for Molecular Mass Transportation

Jin Zhang, Chengyuan Wang Orcid Logo

The Journal of Physical Chemistry C, Volume: 121, Issue: 14, Pages: 8196 - 8203

Swansea University Author: Chengyuan Wang Orcid Logo

Abstract

Buckling of carbon honeycombs (CHCs) under uniaxial compression is studied based on molecular dynamics simulations. The uniaxial load applied to CHCs finally induces the local buckling associated with the biaxial compression state. This phenomenon originates from the residual stress in the CHCs due...

Full description

Published in: The Journal of Physical Chemistry C
ISSN: 1932-7447 1932-7455
Published: American Chemical Society (ACS) 2017
Online Access: Check full text

URI: https://cronfa.swan.ac.uk/Record/cronfa34402
Tags: Add Tag
No Tags, Be the first to tag this record!
Abstract: Buckling of carbon honeycombs (CHCs) under uniaxial compression is studied based on molecular dynamics simulations. The uniaxial load applied to CHCs finally induces the local buckling associated with the biaxial compression state. This phenomenon originates from the residual stress in the CHCs due to the edge effect of component graphene nanoribbons. Under such a biaxial stress state, CHCs are found to exhibit two topographically different buckling modes when subjected to the uniaxial compression in the armchair and zigzag directions, respectively. In particular, the nonlocal effect originating from van der Waals interactions greatly reduces the ability of CHCs to resist structural instability and leads to early onset of CHC buckling. The buckling of CHCs is expected to be instrumental in the future applications of CHC structures. As an example, we show that an effective transportation of molecular mass enabled by the local buckling of CHCs is promising for the future CHC-based gas storage. In particular, the key issue to implement the transportation of the adsorbed gas molecules inside CHCs is to optimize the geometric size of CHCs in favor of the local buckling rather than the global buckling.
College: Faculty of Science and Engineering
Issue: 14
Start Page: 8196
End Page: 8203