Topological data analysis and comparison of physical parameters of different forms of graphene Online publication date: Thu, 22-Dec-2022
by J. Karthik; Navya Jose; Mahesh Kumar; Rudrappa Somashekar
International Journal of Computational Materials Science and Surface Engineering (IJCMSSE), Vol. 11, No. 2, 2022
Abstract: Different crystallographic forms of graphene were investigated for their physical properties using reported experimental crystal structure data and molecular dynamics study. We find interesting changes in the values of certain physical parameters and also three-dimensional spatial variations specifically for Young's, Linear and Shear moduli of graphene. The simulated strength of the graphene in different forms are compared with experimental values for further insight into the graphene to establish structure-property relation. Topological data analysis has been carried out using a two-dimensional plot that is generated using platon using cif files of different forms of graphene.
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