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Molecular dynamics simulations of single-layer and rotated double-layer graphene sheets under a high velocity impact by fullerene
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Zhengtian Wu
Computational Materials Science, Volume: 182, Start page: 109798
Swansea University Author:
Adesola Ademiloye
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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...
| Published in: | Computational Materials Science |
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| ISSN: | 0927-0256 |
| Published: |
Elsevier BV
2020
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| Online Access: |
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| 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. |
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| Keywords: |
Molecular dynamics simulation, Double-layer graphene, Impact, Stress wave, Fullerene |
| College: |
Faculty of Science and Engineering |
| Start Page: |
109798 |