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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

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DOI (Published version): 10.1021/acs.jpcc.7b00716

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...

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Published in: The Journal of Physical Chemistry C
ISSN: 1932-7447 1932-7455
Published: American Chemical Society (ACS) 2017
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URI: https://cronfa.swan.ac.uk/Record/cronfa34402
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first_indexed 2017-06-20T20:09:33Z
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spelling 2020-11-02T12:10:04.4775433 v2 34402 2017-06-20 Buckling of Carbon Honeycombs: A New Mechanism for Molecular Mass Transportation fdea93ab99f51d0b3921d3601876c1e5 0000-0002-1001-2537 Chengyuan Wang Chengyuan Wang true false 2017-06-20 MECH 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. Journal Article The Journal of Physical Chemistry C 121 14 8196 8203 American Chemical Society (ACS) 1932-7447 1932-7455 13 4 2017 2017-04-13 10.1021/acs.jpcc.7b00716 COLLEGE NANME Mechanical Engineering COLLEGE CODE MECH Swansea University 2020-11-02T12:10:04.4775433 2017-06-20T15:30:27.7406380 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering Jin Zhang 1 Chengyuan Wang 0000-0002-1001-2537 2 0034402-21062017153130.pdf zhang2017(5).pdf 2017-06-21T15:31:30.8330000 Output 1638838 application/pdf Accepted Manuscript true 2018-05-28T00:00:00.0000000 true eng
title Buckling of Carbon Honeycombs: A New Mechanism for Molecular Mass Transportation
spellingShingle Buckling of Carbon Honeycombs: A New Mechanism for Molecular Mass Transportation
Chengyuan Wang
title_short Buckling of Carbon Honeycombs: A New Mechanism for Molecular Mass Transportation
title_full Buckling of Carbon Honeycombs: A New Mechanism for Molecular Mass Transportation
title_fullStr Buckling of Carbon Honeycombs: A New Mechanism for Molecular Mass Transportation
title_full_unstemmed Buckling of Carbon Honeycombs: A New Mechanism for Molecular Mass Transportation
title_sort Buckling of Carbon Honeycombs: A New Mechanism for Molecular Mass Transportation
author_id_str_mv fdea93ab99f51d0b3921d3601876c1e5
author_id_fullname_str_mv fdea93ab99f51d0b3921d3601876c1e5_***_Chengyuan Wang
author Chengyuan Wang
author2 Jin Zhang
Chengyuan Wang
format Journal article
container_title The Journal of Physical Chemistry C
container_volume 121
container_issue 14
container_start_page 8196
publishDate 2017
institution Swansea University
issn 1932-7447
1932-7455
doi_str_mv 10.1021/acs.jpcc.7b00716
publisher American Chemical Society (ACS)
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering
document_store_str 1
active_str 0
description 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.
published_date 2017-04-13T03:42:40Z
_version_ 1763751976989884416
score 10.997843

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