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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
Online Access: Check full text

URI: https://cronfa.swan.ac.uk/Record/cronfa59987
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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 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.
Keywords: Molecular dynamics, Perforation, Fullerene projectile, Buckling characteristics, Ballistic limit velocity, Impact protection
College: Faculty of Science and Engineering
Funders: 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).
Start Page: 103642

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