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

Y Zhang and Y Qiu and FZ Niu and AS Ademiloye, MATERIALS TODAY COMMUNICATIONS, 31, 103642 (2022).

DOI: 10.1016/j.mtcomm.2022.103642

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 C-180 projectile and graphene under impact at different velocities is also investigated. We observed that the C-180 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.

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