Title: Molecular Dynamics Simulation of Melting and Vacancy Movement in Graphene Nanoribbons Authors: Jiuning Hu
نویسندگان
چکیده
We have used classical molecular dynamics based on the Brenner potential describing carbon-carbon covalent bonds to study the melting point and vacancy movement in a rectangular graphene nanoribbon. The melting point of the graphene nanoribbon extracted from the numerical simulation is ~3400 K. We also found that two separated vacancies at high temperature (e.g., ~3000 K, below the melting point) can eventually form a stable Stone-Wales-like defect at the edge of the nanoribbon.
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