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

• Published in: Computational materials science Vol. 182; p. 109798
• Main Authors: Qiu, Yun, Zhang, Yang, Ademiloye, A.S., Wu, Zhengtian
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.09.2020
• Subjects: Double-layer graphene; Fullerene; Impact; Molecular dynamics simulation; Stress wave; Impact; Fullerene; Molecular dynamics simulation; Stress wave; Double-layer graphene
• ISSN: 0927-0256; 1879-0801
• DOI: 10.1016/j.commatsci.2020.109798

•The mechanical response of graphene sheets under a high velocity impact is examined using Molecular Dynamics simulation.•High velocity cone-wave and axial-wave propagations can better dissipate the kinetic energy of the projectile.•Double-layer graphene sheet has a better energy reduction effect when impacted by a low angle and high velocity projectile.•Rotated double-layer graphene sheet possesses superior energy absorption ability and highly suitable for impact protection. 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.