Molecular dynamics simulation of perforation of graphene under impact by fullerene projectiles
نویسندگان
چکیده
In this paper, molecular dynamics (MD) simulations are employed to study the perforation of graphene under impact by fullerenes various sizes. The buckling characteristics after classified and discussed. relative state C180 projectile at different velocities is also investigated. We observed that rebounds low velocity (V < 4.25 km/s), sticks high (4.25 km/s ≤ V 4.75 perforates higher ≥ km/s). It found buckled cap large-size fullerene formed can better absorb kinetic energy. addition, crack modes were effect size initial on ballistic limit was clarified. This provides new implications for application as shields.
منابع مشابه
Investigation of Melting by Molecular Dynamics Simulation
The melting of a 64 ion microcrystal of KCI was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural properties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. ...
متن کاملEffect of Defects on Mechanical Properties of Graphene under Shear Loading Using Molecular Dynamic Simulation
Graphene sheet including single vacancy, double vacancy and Stone-Wales with armchair and zigzag structure was simulated using molecular dynamics simulation. The effect of defects on shear’s modulus, shear strength and fracture strain was investigated. Results showed that these shear properties reduce when the degrees of all kinds of defects increase. The dangling bond in SV and DV defected gr...
متن کاملOn the crumpling of polycrystalline graphene by molecular dynamics simulation.
Crumpled graphene has been emerging as a valuable component for a variety of devices such as supercapacitors or hydrophobic surface coatings due to its geometric change from a 2D to a 3D structure accompanied by changes in its material behavior. As polycrystalline graphene is easier to produce than pristine graphene, certain applications of crumpled graphene may be better suited to polycrystall...
متن کاملCoalescence of fullerene cages: Topology, energetics, and molecular dynamics simulation
Sequential atomic rearrangements leading to the coalescence of fullerene cages or tubes are derived by topological analysis. Qualitative reasoning assists the search for the minimum-energy path, which consists of a jump-to-contact formation of covalent bonds between the separate cages and the following ‘‘plastic flow’’ by exclusively Stone-Wales bond rotations. A connecting neck forms and grows...
متن کاملA Molecular Dynamics Simulation of the Fullerene Formation Process
Yasutaka Yamaguchi and Shigeo Maruyama Department of Mechanical Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113, Japan TEL/FAX: +81-3-5800-6983 e-mail: [email protected] Abstract A molecular dynamics simulation starting from 500 isolated carbon atoms resulted in several closed caged structures under suitable temperature control. A caged C70 cluster that app...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Materials today communications
سال: 2022
ISSN: ['2352-4928']
DOI: https://doi.org/10.1016/j.mtcomm.2022.103642