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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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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
Online Access: Check full text

URI: https://cronfa.swan.ac.uk/Record/cronfa54201
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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 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.
Keywords: Molecular dynamics simulation, Double-layer graphene, Impact, Stress wave, Fullerene
College: College of Engineering
Start Page: 109798