Study of Hardness of Superhard Crystals by Topological Indices

Topological indices give immense information about a molecular structure or chemical structure. The hardness of materials for the indentation can be defined microscopically as the total resistance and effect of chemical bonds in the respective materials. The aim of this paper is to study the hardnes...

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Bibliographic Details
Published in:Journal of chemistry 2021-07, Vol.2021, p.1-10
Main Authors: Zhang, Xiujun, Naeem, Muhammad, Baig, Abdul Qudair, Zahid, Manzoor Ahmad
Format: Article
Language:English
Subjects:
Boron
Chemical bonds
Crystal structure
Graphite
Hardness
Indentation
Mechanical properties
Metals
Molecular structure
Tensile strength
Topology
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Summary:Topological indices give immense information about a molecular structure or chemical structure. The hardness of materials for the indentation can be defined microscopically as the total resistance and effect of chemical bonds in the respective materials. The aim of this paper is to study the hardness of some superhard BCx crystals by means of topological indices, specifically Randić index and atom-bond connectivity index.
ISSN:2090-9063
2090-9071
DOI:10.1155/2021/9604106