Efficient Structural Relaxation of Polycrystalline Graphene Models

Large samples of experimentally produced graphene are polycrystalline. For the study of this material, it helps to have realistic computer samples that are also polycrystalline. A common approach to produce such samples in computer simulations is based on the method of Wooten, Winer, and Weaire, ori...

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Bibliographic Details
Main Authors: Federico D’Ambrosio, Joris Barkema, Gerard T. Barkema
Format: Article
Language:English
Published: MDPI AG 2021-05-01
Series:Nanomaterials
Subjects:
Online Access:https://www.mdpi.com/2079-4991/11/5/1242