Abstract
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 B C x crystals by means of topological indices, specifically Randić index and atom-bond connectivity index.
Highlights
Hardness measures the crystal property of resistance into its deformation
We have investigated the association among the Randicindex (RI), hardness of the crystal (HC), and atom-bond connectivity index (ABCI)
Estimates of three equations depict that ABCI is positively and significantly associated with RI, and 1 unit increase in ABCI improves 0.90 units of RI, while HC is positively and insignificantly related with RI
Summary
In crystal-type materials, the resistence depends on the chemical bonds between its atoms. A technique to relate the hardness of Vickers for a large class of crystals of covalent type to their microscopic properties has been studied in [2]. As a function of pressure, the stability of compound BC5 is relative to a solution of compound BC3 and graphite Another similar but different compound is the BC7 crystal structure which is more like to both compound structures of graphite and diamond. Cumulative correlation technique allows to determining more precisely, where such variation took place and it influences every member within the sequence of the preceding ones Since both hardness properties and topological indices are important topics in crystal science, it inspired us to study the relationship between them. Since both hardness properties and topological indices are important topics in crystal science, it inspired us to study the relationship between them. e main contribution of this paper is to study the hardness of some superhard BCx crystals in the light of topological indices
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