{"title":"基于几何二次和二次几何指数的碳化硅网络熵测度","authors":"Shibsankar Das, Virendra Kumar, Jayjit Barman","doi":"10.1007/s12633-024-03173-8","DOIUrl":null,"url":null,"abstract":"<div><p>In chemical graph theory, topological indices are numerical quantities associated with the structure of molecular compounds. These indices are utilized in the construction of quantitative structure-property relationships (QSPR) and quantitative structure-activity relationships (QSAR) analysis and quantify the different features of the molecular topology. M-polynomial gives a handy method for managing complex computations involving various indices and offers a consistent methodology to derive multiple degree-based topological indices. Graph entropy measures are employed to measure the structural information content, disorder and complexity of a graph. In this article, we examine the geometric-quadratic (<i>GQ</i>) and quadratic-geometric (<i>QG</i>) indices for silicon carbide networks, namely <span>\\(\\text {Si}_{2}\\text {C}_{3} \\textit{-I}[p,q]\\)</span>, <span>\\(\\text {Si}_{2}\\text {C}_{3} \\textit{-II}[p,q]\\)</span> and <span>\\(\\text {Si}_{2}\\text {C}_{3} \\textit{-III}[p,q]\\)</span> with the help of their respective M-polynomials. Next, we propose the idea of the <i>GQ</i>-<i>QG</i> indices-based entropy measure and compute their expressions for the above-said networks. Furthermore, the graphical representation and numerical computation of the <i>GQ</i>-<i>QG</i> indices and associated entropy measures are performed to assess their behavior. These indices and entropy measures may be helpful in predicting the physico-chemical properties and understanding the structural behavior of the considered silicon carbide networks.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"17 1","pages":"75 - 91"},"PeriodicalIF":2.8000,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Geometric-Quadratic and Quadratic-Geometric Indices-based Entropy Measures of Silicon Carbide Networks\",\"authors\":\"Shibsankar Das, Virendra Kumar, Jayjit Barman\",\"doi\":\"10.1007/s12633-024-03173-8\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In chemical graph theory, topological indices are numerical quantities associated with the structure of molecular compounds. These indices are utilized in the construction of quantitative structure-property relationships (QSPR) and quantitative structure-activity relationships (QSAR) analysis and quantify the different features of the molecular topology. M-polynomial gives a handy method for managing complex computations involving various indices and offers a consistent methodology to derive multiple degree-based topological indices. Graph entropy measures are employed to measure the structural information content, disorder and complexity of a graph. In this article, we examine the geometric-quadratic (<i>GQ</i>) and quadratic-geometric (<i>QG</i>) indices for silicon carbide networks, namely <span>\\\\(\\\\text {Si}_{2}\\\\text {C}_{3} \\\\textit{-I}[p,q]\\\\)</span>, <span>\\\\(\\\\text {Si}_{2}\\\\text {C}_{3} \\\\textit{-II}[p,q]\\\\)</span> and <span>\\\\(\\\\text {Si}_{2}\\\\text {C}_{3} \\\\textit{-III}[p,q]\\\\)</span> with the help of their respective M-polynomials. Next, we propose the idea of the <i>GQ</i>-<i>QG</i> indices-based entropy measure and compute their expressions for the above-said networks. Furthermore, the graphical representation and numerical computation of the <i>GQ</i>-<i>QG</i> indices and associated entropy measures are performed to assess their behavior. These indices and entropy measures may be helpful in predicting the physico-chemical properties and understanding the structural behavior of the considered silicon carbide networks.</p></div>\",\"PeriodicalId\":776,\"journal\":{\"name\":\"Silicon\",\"volume\":\"17 1\",\"pages\":\"75 - 91\"},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2024-10-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Silicon\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s12633-024-03173-8\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Silicon","FirstCategoryId":"88","ListUrlMain":"https://link.springer.com/article/10.1007/s12633-024-03173-8","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Geometric-Quadratic and Quadratic-Geometric Indices-based Entropy Measures of Silicon Carbide Networks
In chemical graph theory, topological indices are numerical quantities associated with the structure of molecular compounds. These indices are utilized in the construction of quantitative structure-property relationships (QSPR) and quantitative structure-activity relationships (QSAR) analysis and quantify the different features of the molecular topology. M-polynomial gives a handy method for managing complex computations involving various indices and offers a consistent methodology to derive multiple degree-based topological indices. Graph entropy measures are employed to measure the structural information content, disorder and complexity of a graph. In this article, we examine the geometric-quadratic (GQ) and quadratic-geometric (QG) indices for silicon carbide networks, namely \(\text {Si}_{2}\text {C}_{3} \textit{-I}[p,q]\), \(\text {Si}_{2}\text {C}_{3} \textit{-II}[p,q]\) and \(\text {Si}_{2}\text {C}_{3} \textit{-III}[p,q]\) with the help of their respective M-polynomials. Next, we propose the idea of the GQ-QG indices-based entropy measure and compute their expressions for the above-said networks. Furthermore, the graphical representation and numerical computation of the GQ-QG indices and associated entropy measures are performed to assess their behavior. These indices and entropy measures may be helpful in predicting the physico-chemical properties and understanding the structural behavior of the considered silicon carbide networks.
期刊介绍:
The journal Silicon is intended to serve all those involved in studying the role of silicon as an enabling element in materials science. There are no restrictions on disciplinary boundaries provided the focus is on silicon-based materials or adds significantly to the understanding of such materials. Accordingly, such contributions are welcome in the areas of inorganic and organic chemistry, physics, biology, engineering, nanoscience, environmental science, electronics and optoelectronics, and modeling and theory. Relevant silicon-based materials include, but are not limited to, semiconductors, polymers, composites, ceramics, glasses, coatings, resins, composites, small molecules, and thin films.