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Molecular dynamics simulations of single-layer and rotated double-layer graphene sheets under a high velocity impact by fullerene

Yun Qiu, Yang Zhang, Adesola Ademiloye Orcid Logo, Zhengtian Wu

Computational Materials Science, Volume: 182, Start page: 109798

Swansea University Author: Adesola Ademiloye Orcid Logo

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DOI (Published version): 10.1016/j.commatsci.2020.109798

Abstract

Molecular dynamics (MD) simulations are employed in this paper to study the behavior of single-layer and rotated double-layer graphene sheets under a high velocity impact. The AIREBO force field is used for MD simulations. Stress wave propagation is investigated, and cone-wave and axial-wave velocit...

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Published in: Computational Materials Science
ISSN: 0927-0256
Published: Elsevier BV 2020
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URI: https://cronfa.swan.ac.uk/Record/cronfa54201
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first_indexed 2020-05-11T19:40:50Z
last_indexed 2021-12-03T04:12:38Z
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spelling 2021-12-02T11:22:53.4557429 v2 54201 2020-05-11 Molecular dynamics simulations of single-layer and rotated double-layer graphene sheets under a high velocity impact by fullerene e37960ed89a7e3eaeba2201762626594 0000-0002-9741-6488 Adesola Ademiloye Adesola Ademiloye true false 2020-05-11 MEDE Molecular dynamics (MD) simulations are employed in this paper to study the behavior of single-layer and rotated double-layer graphene sheets under a high velocity impact. The AIREBO force field is used for MD simulations. Stress wave propagation is investigated, and cone-wave and axial-wave velocities are determined. The coefficient of restitution for the double-layer graphene sheet is calculated at different impact incident angles and velocities. Impact and rebound kinetic energy of projectile under the impact simulation of different rotation angles double-layer graphene sheet is monitored. High cone-wave and axial-wave velocities show that single-layer and double-layer graphene sheets have potential applications in impact protection materials. Journal Article Computational Materials Science 182 109798 Elsevier BV 0927-0256 Molecular dynamics simulation, Double-layer graphene, Impact, Stress wave, Fullerene 1 9 2020 2020-09-01 10.1016/j.commatsci.2020.109798 COLLEGE NANME Biomedical Engineering COLLEGE CODE MEDE Swansea University 2021-12-02T11:22:53.4557429 2020-05-11T13:38:19.3869877 Faculty of Science and Engineering School of Engineering and Applied Sciences - Biomedical Engineering Yun Qiu 1 Yang Zhang 2 Adesola Ademiloye 0000-0002-9741-6488 3 Zhengtian Wu 4 54201__17209__b5999b524f644fe8ac881d078dea67c0.pdf 54201.pdf 2020-05-11T13:49:41.5583161 Output 1400941 application/pdf Accepted Manuscript true 2021-05-21T00:00:00.0000000 © 2020. This manuscript version is made available under the CC-BY-NC-ND 4.0 license. true eng http://creativecommons.org/licenses/by-nc-nd/4.0/
title Molecular dynamics simulations of single-layer and rotated double-layer graphene sheets under a high velocity impact by fullerene
spellingShingle Molecular dynamics simulations of single-layer and rotated double-layer graphene sheets under a high velocity impact by fullerene
Adesola Ademiloye
title_short Molecular dynamics simulations of single-layer and rotated double-layer graphene sheets under a high velocity impact by fullerene
title_full Molecular dynamics simulations of single-layer and rotated double-layer graphene sheets under a high velocity impact by fullerene
title_fullStr Molecular dynamics simulations of single-layer and rotated double-layer graphene sheets under a high velocity impact by fullerene
title_full_unstemmed Molecular dynamics simulations of single-layer and rotated double-layer graphene sheets under a high velocity impact by fullerene
title_sort Molecular dynamics simulations of single-layer and rotated double-layer graphene sheets under a high velocity impact by fullerene
author_id_str_mv e37960ed89a7e3eaeba2201762626594
author_id_fullname_str_mv e37960ed89a7e3eaeba2201762626594_***_Adesola Ademiloye
author Adesola Ademiloye
author2 Yun Qiu
Yang Zhang
Adesola Ademiloye
Zhengtian Wu
format Journal article
container_title Computational Materials Science
container_volume 182
container_start_page 109798
publishDate 2020
institution Swansea University
issn 0927-0256
doi_str_mv 10.1016/j.commatsci.2020.109798
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 Molecular dynamics (MD) simulations are employed in this paper to study the behavior of single-layer and rotated double-layer graphene sheets under a high velocity impact. The AIREBO force field is used for MD simulations. Stress wave propagation is investigated, and cone-wave and axial-wave velocities are determined. The coefficient of restitution for the double-layer graphene sheet is calculated at different impact incident angles and velocities. Impact and rebound kinetic energy of projectile under the impact simulation of different rotation angles double-layer graphene sheet is monitored. High cone-wave and axial-wave velocities show that single-layer and double-layer graphene sheets have potential applications in impact protection materials.
published_date 2020-09-01T04:07:34Z
_version_ 1763753543534116864
score 11.035634

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