Analytical and molecular dynamics studies on the impact loading of single-layered graphene sheet by fullerene

Autor: Saeid Sepahi-Boroujeni, Shahrokh Hosseini-Hashemi, Amin Sepahi-Boroujeni
Rok vydání: 2018
Předmět:
Zdroj: Applied Surface Science. 437:366-374
ISSN: 0169-4332
DOI: 10.1016/j.apsusc.2017.12.141
Popis: Normal impact performance of a system including a fullerene molecule and a single-layered graphene sheet is studied in the present paper. Firstly, through a mathematical approach, a new contact law is derived to describe the overall non-bonding interaction forces of the “hollow indenter-target” system. Preliminary verifications show that the derived contact law gives a reliable picture of force field of the system which is in good agreements with the results of molecular dynamics (MD) simulations. Afterwards, equation of the transversal motion of graphene sheet is utilized on the basis of both the nonlocal theory of elasticity and the assumptions of classical plate theory. Then, to derive dynamic behavior of the system, a set including the proposed contact law and the equations of motion of both graphene sheet and fullerene molecule is solved numerically. In order to evaluate outcomes of this method, the problem is modeled by MD simulation. Despite intrinsic differences between analytical and MD methods as well as various errors arise due to transient nature of the problem, acceptable agreements are established between analytical and MD outcomes. As a result, the proposed analytical method can be reliably used to address similar impact problems. Furthermore, it is found that a single-layered graphene sheet is capable of trapping fullerenes approaching with low velocities. Otherwise, in case of rebound, the sheet effectively absorbs predominant portion of fullerene energy.
Databáze: OpenAIRE
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