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

Yang Zhang; Yun Qiu; Fuzhou Niu; A.S. Ademiloye

doi:10.1016/j.mtcomm.2022.103642

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

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Overview

9 Scopus Citations

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Author(s)

Yang Zhang
Yun Qiu
Fuzhou Niu
A.S. Ademiloye

Related Research Unit(s)

Department of Architecture and Civil Engineering

Detail(s)

Original language	English
Article number	103642
Journal / Publication	Materials Today Communications
Volume	31
Online published	6 May 2022
Publication status	Published - Jun 2022

Link(s)

DOI	DOI https://doi.org/10.1016/j.mtcomm.2022.103642 Final Published version
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Attachment(s)	Documents 104620330.pdf Final Published version, 13.5 MB, PDF Publisher's Copyright Statement This full text is made available under CC-BY 4.0. https://creativecommons.org/licenses/by/4.0/
Link to Scopus	https://www.scopus.com/record/display.uri?eid=2-s2.0-85129916479&origin=recordpage
Permanent Link	https://scholars.cityu.edu.hk/en/publications/publication(bc7c8335-48fb-40ee-bbb5-88bdca39dd54).html

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.