通过氢氧化钙网络的有理曲线拟合模型探索拓扑指数和熵测度。

Exploring topological indices and entropy measure via rational curve fitting models for calcium hydroxide network.

作者信息

Huang Rongbing, Hanif Muhammad Farhan, Siddiqui Muhammad Kamran, Hanif Muhammad Faisal, Hussain Mazhar, Petros Fikre Bogale

机构信息

School of Computer Science, Chengdu University, Chengdu, China.

Department of Mathematics and Statistics, The University of Lahore, Lahore Campus, Lahore, Pakistan.

出版信息

Sci Rep. 2024 Oct 8;14(1):23452. doi: 10.1038/s41598-024-74981-6.

DOI:10.1038/s41598-024-74981-6

PMID:39379514

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11461826/

Abstract

This work uses rational curve fitting models to investigate the complex link between topological indices and entropy metrics in calcium hydroxide networks. Entropy measurements shed light on the complexity and disorder of these networks, whereas topological indices are essential instruments for comprehending the structural characteristics of chemical substances. Our goal is to find new patterns and connections by merging these two fields, improving materials science's prediction capacity. We calculate many topological indices, such as the Randic, Balaban, and Zagreb indices, and examine the relationship between them and entropy measurements obtained from structural arrangement.

摘要

这项工作使用有理曲线拟合模型来研究氢氧化钙网络中拓扑指数与熵度量之间的复杂联系。熵测量揭示了这些网络的复杂性和无序性，而拓扑指数是理解化学物质结构特征的重要工具。我们的目标是通过融合这两个领域来发现新的模式和联系，提高材料科学的预测能力。我们计算了许多拓扑指数，如兰迪奇指数、巴拉班指数和 Zagreb 指数，并研究它们与从结构排列获得的熵测量之间的关系。