Huang Rongbing, Hanif Muhammad Farhan, Siddiqui Muhammad Kamran, Hanif Muhammad Faisal, Hanif Saba, Gegbe Brima
School of Computer Science, Chengdu University, Chengdu, China.
Department of Mathematics and Statistics, The University of Lahore, Lahore Campus, Lahore, Pakistan.
Sci Rep. 2024 Aug 19;14(1):19177. doi: 10.1038/s41598-024-70006-4.
In this study, we conduct a comprehensive physical analysis of topological indices for the Iron Disulfide (FeS ) network using a curve-fitting model. Iron Disulfide is a cubic compound. In metamorphic rock, sedimentary rock, and quartz veins, it is typically found in combination with other sulfides or oxides. The numerical properties of molecular structures are referred to as topological indices. There are several different kinds of topological indices, including those that are based on distance, degree, or counting, among other factors. The real process of creating a topological index involves turning a chemical structure into a numerical value. In this paper, we calculate the iron disulfide network topological indices using the degrees of vertices in a chemical network of Iron Disulfide (FeS ). Thereafter, we discovered the physical parameters of FeS production, such as heat of formation. We then fitted curves between the thermodynamic properties and several indices. Several techniques based on rationality, linearity, and nonlinearity were used to fit curves in MATLAB. These quantitative results imply that a variety of thermodynamic characteristics of semiconducting materials may be accurately predicted by topological indices. These findings have significant ramifications as they provide the groundwork for the application of topological indices in semiconducting network design and optimization, which might result in more effective and economical material creation.
在本研究中，我们使用曲线拟合模型对二硫化铁（FeS₂）网络的拓扑指数进行了全面的物理分析。二硫化铁是一种立方化合物。在变质岩、沉积岩和石英脉中，它通常与其他硫化物或氧化物结合存在。分子结构的数值属性被称为拓扑指数。有几种不同类型的拓扑指数，包括基于距离、度或计数等因素的指数。创建拓扑指数的实际过程涉及将化学结构转化为数值。在本文中，我们使用二硫化铁（FeS₂）化学网络中顶点的度来计算二硫化铁网络的拓扑指数。此后，我们发现了FeS₂生成的物理参数，如生成热。然后，我们拟合了热力学性质与几个指数之间的曲线。在MATLAB中使用了基于合理性、线性和非线性的几种技术来拟合曲线。这些定量结果表明，拓扑指数可以准确预测半导体材料的各种热力学特性。这些发现具有重要意义，因为它们为拓扑指数在半导体网络设计和优化中的应用奠定了基础，这可能会带来更有效和经济的材料创造。
