On physical analysis of topological indices for iron disulfide network via curve fitting model

In this study, we conduct a comprehensive physical analysis of topological indices for the Iron Disulfide (FeS <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mmultiscripts><mml:mrow></mml:mrow> <mml:mn>2</mml:mn> <mml:mrow></mml:mrow></mml:mmultiscripts> </mml:math> ) 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 <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mmultiscripts><mml:mrow></mml:mrow> <mml:mn>2</mml:mn> <mml:mrow></mml:mrow></mml:mmultiscripts> </mml:math> ). Thereafter, we discovered the physical parameters of FeS <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mmultiscripts><mml:mrow></mml:mrow> <mml:mn>2</mml:mn> <mml:mrow></mml:mrow></mml:mmultiscripts> </mml:math> 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.

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Publication Details

Journal
Scientific Reports
Published
2024-08-19
DOI
https://doi.org/10.1038/s41598-024-70006-4
Citations
5
Primary Topic
Graph theory and applications
Type
article
Field-Weighted Citation Impact
5.06
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article

On physical analysis of topological indices for iron disulfide network via curve fitting model

Rongbing Huang, Muhammad Farhan Hanif, Muhammad Faisal Hanif, Muhammad Kamran Siddiqui et al.
5 citations
Scientific Reports
Graph theory and applications
5.06
article

On physical analysis of topological indices for iron disulfide network via curve fitting model

Rongbing Huang, Muhammad Farhan Hanif, Muhammad Faisal Hanif, Muhammad Kamran Siddiqui, Brima Gegbe, Saba Hanif
article en
5 citations

Abstract

In this study, we conduct a comprehensive physical analysis of topological indices for the Iron Disulfide (FeS <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mmultiscripts><mml:mrow></mml:mrow> <mml:mn>2</mml:mn> <mml:mrow></mml:mrow></mml:mmultiscripts> </mml:math> ) 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 <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mmultiscripts><mml:mrow></mml:mrow> <mml:mn>2</mml:mn> <mml:mrow></mml:mrow></mml:mmultiscripts> </mml:math> ). Thereafter, we discovered the physical parameters of FeS <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mmultiscripts><mml:mrow></mml:mrow> <mml:mn>2</mml:mn> <mml:mrow></mml:mrow></mml:mmultiscripts> </mml:math> 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.

Scientific ReportsVol. 14(1)
University of Lahore (PK), COMSATS University Islamabad (PK), Njala University (SL), Chengdu University (CN)
Openalex Percentile: Top 4%
Graph theory and applications
5.06
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