Study of HCP (Hexagonal Close-Packed) Crystal Structure Lattice through Topological Descriptors

Guoping Zhang; Saadia Saeed; Adnan Aslam; Salma Kanwal; Nazeran Idrees; Tahira Sumbal Shaikh

doi:10.1155/2022/6069666

Study of HCP (Hexagonal Close-Packed) Crystal Structure Lattice through Topological Descriptors

Comput Intell Neurosci. 2022 Jul 31:2022:6069666. doi: 10.1155/2022/6069666. eCollection 2022.

Authors

Guoping Zhang^{1

2}, Saadia Saeed³, Adnan Aslam⁴, Salma Kanwal³, Nazeran Idrees⁵, Tahira Sumbal Shaikh³

Affiliations

¹ School of Software, Pingdingshan University, Pingdingshan, Henan 467000, China.
² Henan International Joint Laboratory for Multidimensional Topology and Carcinogenic Charateristics Analysis of Atmospheric Particulate Matter PM2.5, Pingdingshan, Henan 467000, China.
³ Department of Mathematics, Lahore College for Women University, Lahore, Pakistan.
⁴ University of Engineering and Technology, Lahore (RCET) 54000, Lahore, Pakistan.
⁵ Department of Mathematics, Government College University, Faisalabad, Pakistan.

Abstract

Chemical graph theory is a multidisciplinary field where the structure of the molecule is analyzed as a graphical structure. Chemical descriptors are one of the most important ideas employed in chemical graph theory; this is to associate a numerical value with a graph structure that often has correlation with corresponding chemical properties. In this paper, we investigate another very important closed-packed usual crystal structure defined as HCP (Hexagonal Close-Packed) crystal structure and its lattice formed by arranging its unit cells in a dimension for topological descriptors based on a neighborhood degree, reverse degree, and degree. Furthermore, we classify which descriptor is more dominating.