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Molecular dynamics simulation of perforation of graphene under impact by fullerene projectiles

Yang Zhang, Yun Qiu, Fuzhou Niu, Adesola Ademiloye Orcid Logo

Materials Today Communications, Volume: 31, Start page: 103642

Swansea University Author: Adesola Ademiloye Orcid Logo

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DOI (Published version): 10.1016/j.mtcomm.2022.103642

Abstract

In this paper, molecular dynamics (MD) simulations are employed to study the perforation of graphene under impact by fullerenes of various sizes. The buckling characteristics of fullerenes after impact are classified and discussed. The relative state of C180 projectile and graphene under impact at d...

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Published in: Materials Today Communications
ISSN: 2352-4928
Published: Elsevier BV 2022
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URI: https://cronfa.swan.ac.uk/Record/cronfa59987
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spelling 2022-09-05T13:20:39.3397104 v2 59987 2022-05-09 Molecular dynamics simulation of perforation of graphene under impact by fullerene projectiles e37960ed89a7e3eaeba2201762626594 0000-0002-9741-6488 Adesola Ademiloye Adesola Ademiloye true false 2022-05-09 MEDE In this paper, molecular dynamics (MD) simulations are employed to study the perforation of graphene under impact by fullerenes of various sizes. The buckling characteristics of fullerenes after impact are classified and discussed. The relative state of C180 projectile and graphene under impact at different velocities is also investigated. We observed that the C180 projectile rebounds at low velocity (V < 4.25 km/s), sticks to graphene at high velocity (4.25 km/s ≤ V ≤ 4.75 km/s), and perforates the graphene at higher velocity (V ≥ 4.75 km/s). It is found that the buckled cap of large-size fullerene formed after impact can better absorb kinetic energy. In addition, different crack modes of graphene after perforation were investigated. The effect of fullerene projectile size and initial velocity on ballistic limit velocity was also clarified. This study provides new implications for the application of large-size fullerenes as impact shields. Journal Article Materials Today Communications 31 103642 Elsevier BV 2352-4928 Molecular dynamics, Perforation, Fullerene projectile, Buckling characteristics, Ballistic limit velocity, Impact protection 1 6 2022 2022-06-01 10.1016/j.mtcomm.2022.103642 COLLEGE NANME Biomedical Engineering COLLEGE CODE MEDE Swansea University SU Library paid the OA fee (TA Institutional Deal) This work was supported in part by National Natural Science Foundation of China under Grant No. 11902159 and No. 61903269, Swansea University New Faculty Grant, and the Hong Kong Scholars Program (Project No. XJ2019016). 2022-09-05T13:20:39.3397104 2022-05-09T16:33:50.3613026 Faculty of Science and Engineering School of Engineering and Applied Sciences - Biomedical Engineering Yang Zhang 1 Yun Qiu 2 Fuzhou Niu 3 Adesola Ademiloye 0000-0002-9741-6488 4 59987__24131__df4b60ddebba435cb82fc5c1504e1a73.pdf 59987.pdf 2022-05-19T13:37:29.4257283 Output 14182246 application/pdf Version of Record true © 2022 The Author(s). This is an open access article under the CC BY license true eng http://creativecommons.org/licenses/by/4.0/
title Molecular dynamics simulation of perforation of graphene under impact by fullerene projectiles
spellingShingle Molecular dynamics simulation of perforation of graphene under impact by fullerene projectiles
Adesola Ademiloye
title_short Molecular dynamics simulation of perforation of graphene under impact by fullerene projectiles
title_full Molecular dynamics simulation of perforation of graphene under impact by fullerene projectiles
title_fullStr Molecular dynamics simulation of perforation of graphene under impact by fullerene projectiles
title_full_unstemmed Molecular dynamics simulation of perforation of graphene under impact by fullerene projectiles
title_sort Molecular dynamics simulation of perforation of graphene under impact by fullerene projectiles
author_id_str_mv e37960ed89a7e3eaeba2201762626594
author_id_fullname_str_mv e37960ed89a7e3eaeba2201762626594_***_Adesola Ademiloye
author Adesola Ademiloye
author2 Yang Zhang
Yun Qiu
Fuzhou Niu
Adesola Ademiloye
format Journal article
container_title Materials Today Communications
container_volume 31
container_start_page 103642
publishDate 2022
institution Swansea University
issn 2352-4928
doi_str_mv 10.1016/j.mtcomm.2022.103642
publisher Elsevier BV
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 Engineering and Applied Sciences - Biomedical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Biomedical Engineering
document_store_str 1
active_str 0
description In this paper, molecular dynamics (MD) simulations are employed to study the perforation of graphene under impact by fullerenes of various sizes. The buckling characteristics of fullerenes after impact are classified and discussed. The relative state of C180 projectile and graphene under impact at different velocities is also investigated. We observed that the C180 projectile rebounds at low velocity (V < 4.25 km/s), sticks to graphene at high velocity (4.25 km/s ≤ V ≤ 4.75 km/s), and perforates the graphene at higher velocity (V ≥ 4.75 km/s). It is found that the buckled cap of large-size fullerene formed after impact can better absorb kinetic energy. In addition, different crack modes of graphene after perforation were investigated. The effect of fullerene projectile size and initial velocity on ballistic limit velocity was also clarified. This study provides new implications for the application of large-size fullerenes as impact shields.
published_date 2022-06-01T04:17:42Z
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score 11.000115

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