Pub Date : 2023-12-03DOI: 10.52783/tjjpt.v44.i5.2763
B. Prashanth, Madusudan. K. V, Abhishek M, Mahesha
We have discovered the distinctive polynomial of the complete graph’s Laplacian matrix with this article in mind. The trace of the Laplacian matrix and the total number of vertices in the complete graph were used to determine the coefficients of the characteristic polynomial. Additionally, we have demonstrated that Laplacian eigenvalues can be used to get coefficients for identical characteristic polynomials. Can be used to get coefficients for identical characteristic polynomials.
{"title":"A note on Laplacian coefficients of the characteristic polynomial of a complete graph","authors":"B. Prashanth, Madusudan. K. V, Abhishek M, Mahesha","doi":"10.52783/tjjpt.v44.i5.2763","DOIUrl":"https://doi.org/10.52783/tjjpt.v44.i5.2763","url":null,"abstract":"We have discovered the distinctive polynomial of the complete graph’s Laplacian matrix with this article in mind. The trace of the Laplacian matrix and the total number of vertices in the complete graph were used to determine the coefficients of the characteristic polynomial. Additionally, we have demonstrated that Laplacian eigenvalues can be used to get coefficients for identical characteristic polynomials. Can be used to get coefficients for identical characteristic polynomials. \u0000 ","PeriodicalId":39883,"journal":{"name":"Tuijin Jishu/Journal of Propulsion Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138605902","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-03DOI: 10.52783/tjjpt.v44.i5.2745
Ramya N., Anitha J, Pradeepa S, Tamilselvi N, Subh
Fibre-reinforced concrete offers a practical and cost-effective solution for addressing micro-cracks and similar structural weaknesses in concrete. Traditional concrete is inherently weak in tension, necessitating measures to enhance its performance in this regard. One unconventional yet promising option for reinforcement is human hair due to its impressive tensile strength. Human hair fibres (HF) are readily available, affordable, and do not degrade quickly, which can contribute to environmental concerns. This study aims to investigate the impact of incorporating human hair fibres into plain cement concrete, with a focus on enhancing compressive strength, tensile strength, flexural strength, and crack prevention while promoting economic and eco-friendly concrete practices. Prior to incorporating human hair fibres into the concrete mix, a meticulous cleaning process involving acetone is carried out. Experimental assessments were conducted on concrete beams, cubes, and cylinders, utilizing various proportions of human hair fibres (0%, 1%, 1.5%, and 2% by weight of cement). The findings reveal that the introduction of human hair fibres as reinforcement leads to a noteworthy enhancement in concrete performance. Specifically, with a 2% inclusion of human hair fibres, we observed a 3.29% upsurge in compressive strength, a 10.87% increase in tensile strength, and a 12.69% improvement in flexural strength in comparison to traditional concrete.
{"title":"Experimental Study On Mechanical Behaviour Of Human Hair Reinforced Concrete","authors":"Ramya N., Anitha J, Pradeepa S, Tamilselvi N, Subh","doi":"10.52783/tjjpt.v44.i5.2745","DOIUrl":"https://doi.org/10.52783/tjjpt.v44.i5.2745","url":null,"abstract":"Fibre-reinforced concrete offers a practical and cost-effective solution for addressing micro-cracks and similar structural weaknesses in concrete. Traditional concrete is inherently weak in tension, necessitating measures to enhance its performance in this regard. One unconventional yet promising option for reinforcement is human hair due to its impressive tensile strength. Human hair fibres (HF) are readily available, affordable, and do not degrade quickly, which can contribute to environmental concerns. This study aims to investigate the impact of incorporating human hair fibres into plain cement concrete, with a focus on enhancing compressive strength, tensile strength, flexural strength, and crack prevention while promoting economic and eco-friendly concrete practices. \u0000Prior to incorporating human hair fibres into the concrete mix, a meticulous cleaning process involving acetone is carried out. Experimental assessments were conducted on concrete beams, cubes, and cylinders, utilizing various proportions of human hair fibres (0%, 1%, 1.5%, and 2% by weight of cement). The findings reveal that the introduction of human hair fibres as reinforcement leads to a noteworthy enhancement in concrete performance. Specifically, with a 2% inclusion of human hair fibres, we observed a 3.29% upsurge in compressive strength, a 10.87% increase in tensile strength, and a 12.69% improvement in flexural strength in comparison to traditional concrete.","PeriodicalId":39883,"journal":{"name":"Tuijin Jishu/Journal of Propulsion Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138605407","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-03DOI: 10.52783/tjjpt.v44.i5.2752
Bhagyashree, Guddappa Halligudra
This review provides an overview of the medical implications of pranayama in healthcare applications. Yoga originated in India 1000 years ago and is now gaining a lot of attention as a natural remedy for health issues. Pranayama, a key component of yoga, involves regulating breathing and has been scientifically proven to effectively improve health and manage diseases. Ongoing scientific research is further exploring the therapeutic benefits of yoga. Yoga offers numerous benefits, such as reducing stress, managing anxiety, improving autonomic nervous function, and suppressing sympathetic nervous activity. Recent research studies showed that yoga and pranayama could potentially have beneficial impacts on the physical well-being of cancer patients, especially in the treatment of respiratory diseases. Additionally, the global recognition of yoga demonstrates India's increasing cultural influence. This review highlights the significance of pranayama in healthcare and emphasizes the need for further research to explore its medicinal value. Pranayama, through the practice of regulating breath, has the potential to greatly enhance overall health and assist in the treatment of various medical conditions.
{"title":"The Healing Power of Pranayama: Exploring Medicinal Significance in Health Care","authors":"Bhagyashree, Guddappa Halligudra","doi":"10.52783/tjjpt.v44.i5.2752","DOIUrl":"https://doi.org/10.52783/tjjpt.v44.i5.2752","url":null,"abstract":"This review provides an overview of the medical implications of pranayama in healthcare applications. Yoga originated in India 1000 years ago and is now gaining a lot of attention as a natural remedy for health issues. Pranayama, a key component of yoga, involves regulating breathing and has been scientifically proven to effectively improve health and manage diseases. Ongoing scientific research is further exploring the therapeutic benefits of yoga. Yoga offers numerous benefits, such as reducing stress, managing anxiety, improving autonomic nervous function, and suppressing sympathetic nervous activity. Recent research studies showed that yoga and pranayama could potentially have beneficial impacts on the physical well-being of cancer patients, especially in the treatment of respiratory diseases. Additionally, the global recognition of yoga demonstrates India's increasing cultural influence. This review highlights the significance of pranayama in healthcare and emphasizes the need for further research to explore its medicinal value. Pranayama, through the practice of regulating breath, has the potential to greatly enhance overall health and assist in the treatment of various medical conditions.","PeriodicalId":39883,"journal":{"name":"Tuijin Jishu/Journal of Propulsion Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138605416","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-03DOI: 10.52783/tjjpt.v44.i5.2730
Srivathsa, Dr. T M Prakash
Thermal conductivity is one among the most important thermal property of any material which affects the transfer of heat through conduction. Loss of heat through roofs and walls has an adverse effect building’s energy consumption. The nature of Cementitious material, moisture content, aggregate type, temperature and density are the key aspects imparting thermal conductivity. This paper focuses on Silica Aerogel synthesis and its effective application in cement mortar inheriting the thermal conductivity property. The purpose of present work is to examine the microstructure of cement Mortar 1:3 inclusive of Aerogel as a partial replacement of cement ranging from 0 to 6% by weight and to ascertain the strength along with durability characteristics. Aerogel is synthesized in the laboratory by Sol-gel process and characterized for element composition and size. The results showed that; Cement Mortar strength and its durability values are promising for 5% replacement of Silica Aerogel for 3, 7 & 28days of curing.
{"title":"Influence of Silica Aerogels on Properties of Cement Mortar","authors":"Srivathsa, Dr. T M Prakash","doi":"10.52783/tjjpt.v44.i5.2730","DOIUrl":"https://doi.org/10.52783/tjjpt.v44.i5.2730","url":null,"abstract":"Thermal conductivity is one among the most important thermal property of any material which affects the transfer of heat through conduction. Loss of heat through roofs and walls has an adverse effect building’s energy consumption. The nature of Cementitious material, moisture content, aggregate type, temperature and density are the key aspects imparting thermal conductivity. This paper focuses on Silica Aerogel synthesis and its effective application in cement mortar inheriting the thermal conductivity property. The purpose of present work is to examine the microstructure of cement Mortar 1:3 inclusive of Aerogel as a partial replacement of cement ranging from 0 to 6% by weight and to ascertain the strength along with durability characteristics. Aerogel is synthesized in the laboratory by Sol-gel process and characterized for element composition and size. The results showed that; Cement Mortar strength and its durability values are promising for 5% replacement of Silica Aerogel for 3, 7 & 28days of curing.","PeriodicalId":39883,"journal":{"name":"Tuijin Jishu/Journal of Propulsion Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138605632","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-03DOI: 10.52783/tjjpt.v44.i5.2758
M. Pavithra, J. López-Bonilla, R. Rajendra, P. Siva, Kota Redy
We show that the Jameson-Schneider’s theorem for arithmetic functions implies the Apostol theorem, which allows to obtain recurrence relations for several functions of interest in number theory.
{"title":"On the Jameson-Schneider and Apostol Theorems","authors":"M. Pavithra, J. López-Bonilla, R. Rajendra, P. Siva, Kota Redy","doi":"10.52783/tjjpt.v44.i5.2758","DOIUrl":"https://doi.org/10.52783/tjjpt.v44.i5.2758","url":null,"abstract":"We show that the Jameson-Schneider’s theorem for arithmetic functions implies the Apostol theorem, which allows to obtain recurrence relations for several functions of interest in number theory. ","PeriodicalId":39883,"journal":{"name":"Tuijin Jishu/Journal of Propulsion Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138605615","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-03DOI: 10.52783/tjjpt.v44.i5.2747
S. Kulkarni
The non-renewable energy sources such as coal, petrol decreasing day by day and their price also increasing. In this fast depleting era of fossil fuels biodiesel produced from nonedible seed oils plays an important role. In the present work the biodiesel is produced from nonedible seed oil Salvia farinacea. In this work from Salvia farinacea seeds oil is extracted and fatty acid components are analysed by GC-FID. Physicochemical properties of the oil are determined by AOAC standard methods. The oil is transesterified in presence of KOH catalyst. Fuel parameters like iodine number, cetane number, heating values, kinematic viscosity, flash point, cold flow properties are determined and are compared with already existing biodiesels and petrodiesel. The emission components like CO, CO2, NOx, HC and Smoke opacity are analysed using four stroke one cylinder engine. This work reveals that Salvia farinacea seed oil is a potential renewable feedstock for the production of biodiesel.
{"title":"Salvia farinacea seed oil, a potential biomass for synthesis of biodiesel: A critical analysis of its fuel properties.","authors":"S. Kulkarni","doi":"10.52783/tjjpt.v44.i5.2747","DOIUrl":"https://doi.org/10.52783/tjjpt.v44.i5.2747","url":null,"abstract":"The non-renewable energy sources such as coal, petrol decreasing day by day and their price also increasing. In this fast depleting era of fossil fuels biodiesel produced from nonedible seed oils plays an important role. In the present work the biodiesel is produced from nonedible seed oil Salvia farinacea. In this work from Salvia farinacea seeds oil is extracted and fatty acid components are analysed by GC-FID. Physicochemical properties of the oil are determined by AOAC standard methods. The oil is transesterified in presence of KOH catalyst. Fuel parameters like iodine number, cetane number, heating values, kinematic viscosity, flash point, cold flow properties are determined and are compared with already existing biodiesels and petrodiesel. The emission components like CO, CO2, NOx, HC and Smoke opacity are analysed using four stroke one cylinder engine. This work reveals that Salvia farinacea seed oil is a potential renewable feedstock for the production of biodiesel.","PeriodicalId":39883,"journal":{"name":"Tuijin Jishu/Journal of Propulsion Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138605966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-03DOI: 10.52783/tjjpt.v44.i5.2722
Niket Malvade, Dr. R.S. Pawade
Various aspects such as work material, cutting environment, machining parameters influence the surface finish, microstructure, and subsurface properties of the machined surface while machining Physical and mechanical qualities, as well as the surface condition, are critical parameters in the machining of biomedical implants since they have a direct impact on the implant's performance Surface finish, microhardness, microstructure, and residual stress also have a lot of attention in recent years as they have a direct impact on the implant's strength and degrading behavior The current study focuses on the Mg-Ca1 0 biomedical alloy, which is commonly used in bone support plates, bone support rods, and bone fixation screws In light of the aforementioned, a study is being prepared with the aim of enhancing the cutting circumstances in order to enhance the quality of magnesium implants To assess the effects of cutting speed, feed, and depth of cut on process parameters.
{"title":"Modeling and Optimization of Face Milling Operation of Magnesium Calcium Alloy Based on Response Surface Methodology","authors":"Niket Malvade, Dr. R.S. Pawade","doi":"10.52783/tjjpt.v44.i5.2722","DOIUrl":"https://doi.org/10.52783/tjjpt.v44.i5.2722","url":null,"abstract":"Various aspects such as work material, cutting environment, machining parameters influence the surface finish, microstructure, and subsurface properties of the machined surface while machining Physical and mechanical qualities, as well as the surface condition, are critical parameters in the machining of biomedical implants since they have a direct impact on the implant's performance Surface finish, microhardness, microstructure, and residual stress also have a lot of attention in recent years as they have a direct impact on the implant's strength and degrading behavior The current study focuses on the Mg-Ca1 0 biomedical alloy, which is commonly used in bone support plates, bone support rods, and bone fixation screws In light of the aforementioned, a study is being prepared with the aim of enhancing the cutting circumstances in order to enhance the quality of magnesium implants To assess the effects of cutting speed, feed, and depth of cut on process parameters. \u0000 ","PeriodicalId":39883,"journal":{"name":"Tuijin Jishu/Journal of Propulsion Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138606052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-03DOI: 10.52783/tjjpt.v44.i5.2755
N. Mandal, Shuvajit Ghosh
Uncertainty is the likelihood that a quantity will statistically deviate from the desired value. Though quality of a machined surface are attributed by many parameters, in this investigation, three surface textures namely,are considered to measure the uncertainties in quality of a surface during machining of AISI 4140 Alloy Steel. First, these three surface textures are modeled using RSM with speed, feed, and depth of cut as input parameters and thereafter uncertainties and sensitivities are measured. It is observed that the uncertaintie of the model, is 0.0440, 0.2567, and 0.2568 respectively using the Monte Carlo Simulation. Principal contributors in uncertainty and sensitivity for, are feed, depth of cut, and depth of cut respectively.
{"title":"Uncertainty and Sensitivity Analysis of Surface Quality in Machining of AISI 4140 Alloy Steels","authors":"N. Mandal, Shuvajit Ghosh","doi":"10.52783/tjjpt.v44.i5.2755","DOIUrl":"https://doi.org/10.52783/tjjpt.v44.i5.2755","url":null,"abstract":"Uncertainty is the likelihood that a quantity will statistically deviate from the desired value. Though quality of a machined surface are attributed by many parameters, in this investigation, three surface textures namely,are considered to measure the uncertainties in quality of a surface during machining of AISI 4140 Alloy Steel. First, these three surface textures are modeled using RSM with speed, feed, and depth of cut as input parameters and thereafter uncertainties and sensitivities are measured. It is observed that the uncertaintie of the model, is 0.0440, 0.2567, and 0.2568 respectively using the Monte Carlo Simulation. Principal contributors in uncertainty and sensitivity for, are feed, depth of cut, and depth of cut respectively.","PeriodicalId":39883,"journal":{"name":"Tuijin Jishu/Journal of Propulsion Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138605205","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-03DOI: 10.52783/tjjpt.v44.i5.2736
Sahana R, Ramachandra P
The Indian construction sector is surge to be slated in resulting significant rise in gap with respect to construction materials such as aggregates (fine and coarse), cements and bricks etc. On the side, the huge number of unseasoned Construction and Demolition (C&D) waste posed consequent issue in one or the other place, especially in buildings like residential, institutional, industrial or commercial construction navel. Extensive research attempts to analyze and discuss the existing codification and challenges, and recommends an information structure for standardized collection, storage, treatment/processing, and disposal of C&D waste. The application of recycled aggregate (RA) , its limitations, and the best practices of utilizing these aggregate are important constituents of the proposed framework for processing mechanism, potential management in India. In the present paper it is discussed and focused on the prejudicial impact of recycled aggregate, ways to generate less wastes and its proper handling. Also the effects of recycled aggregate concrete on compressive strength and split tensile strength by using recycled aggregate as a replacement of natural coarse aggregate (NCA). Percentages replacement used were 20%, 40%, 60%, 80% and 100% with 0% replacement was used as control. Mix design of 1:1.5:2 was used in the study with water to cement ratio of 0.45. Influence of RCA on compressive strength was determined for all the mixes as per IS 516:1959 standard. Results of compressive strength indicated that concrete with 40% replacement of NCA can be effectively used in structural concrete without incorporating much on strength. Also the water absorption test was conducted to assess the one of durability property of the concrete replaced with RA.
{"title":"Evaluation Of Mechanical Properties And Water Absorption Replacing Natural Coarse Aggregate With Recycled Aggregate In Concrete","authors":"Sahana R, Ramachandra P","doi":"10.52783/tjjpt.v44.i5.2736","DOIUrl":"https://doi.org/10.52783/tjjpt.v44.i5.2736","url":null,"abstract":"The Indian construction sector is surge to be slated in resulting significant rise in gap with respect to construction materials such as aggregates (fine and coarse), cements and bricks etc. On the side, the huge number of unseasoned Construction and Demolition (C&D) waste posed consequent issue in one or the other place, especially in buildings like residential, institutional, industrial or commercial construction navel. Extensive research attempts to analyze and discuss the existing codification and challenges, and recommends an information structure for standardized collection, storage, treatment/processing, and disposal of C&D waste. The application of recycled aggregate (RA) , its limitations, and the best practices of utilizing these aggregate are important constituents of the proposed framework for processing mechanism, potential management in India. In the present paper it is discussed and focused on the prejudicial impact of recycled aggregate, ways to generate less wastes and its proper handling. Also the effects of recycled aggregate concrete on compressive strength and split tensile strength by using recycled aggregate as a replacement of natural coarse aggregate (NCA). Percentages replacement used were 20%, 40%, 60%, 80% and 100% with 0% replacement was used as control. Mix design of 1:1.5:2 was used in the study with water to cement ratio of 0.45. Influence of RCA on compressive strength was determined for all the mixes as per IS 516:1959 standard. Results of compressive strength indicated that concrete with 40% replacement of NCA can be effectively used in structural concrete without incorporating much on strength. Also the water absorption test was conducted to assess the one of durability property of the concrete replaced with RA.","PeriodicalId":39883,"journal":{"name":"Tuijin Jishu/Journal of Propulsion Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138605675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-02DOI: 10.52783/tjjpt.v44.i4.2696
Mandakini Baral, Padmaja Patnaik, Santanu Kumar Nayak, Dipan Kumar Das
The most complicated calculation in Density Functional Theory (DFT) is for exchange and correlation potential. In this work “Generalized Gradient Approximation, Perdew-Burke-Ernzerhof and Local density approximation along with Hubbard parameter U functionals are used for exchange and correlation potential approximation. The suitable pseudopotential and Hubbard U value for SnO2 calculation are detected computationally so that the results can be used for further calculation of electronic properties like lattice constant, band plot, TDOS and PDOS plots, magnetic properties etc. From these calculations ultra-soft pseudopotential with Schrodinger relativistic treatment having Hubbard U values Up =7eV and Ud =9eV improved the electronic properties. Utilizing these parameters, the calculated band gap is 3.628 eV with 0.77% of difference in comparison with the experimental data. Then the results from the TDOS and PDOS plots are discussed and analyzed. Symmetry nature of TDOS shows SnO2 has no magnetic behavior.
{"title":"Electronic Calculations of Sno2 Using Gga+U With Different Pseudopotentials and Relativistic Treatment","authors":"Mandakini Baral, Padmaja Patnaik, Santanu Kumar Nayak, Dipan Kumar Das","doi":"10.52783/tjjpt.v44.i4.2696","DOIUrl":"https://doi.org/10.52783/tjjpt.v44.i4.2696","url":null,"abstract":" The most complicated calculation in Density Functional Theory (DFT) is for exchange and correlation potential. In this work “Generalized Gradient Approximation, Perdew-Burke-Ernzerhof and Local density approximation along with Hubbard parameter U functionals are used for exchange and correlation potential approximation. The suitable pseudopotential and Hubbard U value for SnO2 calculation are detected computationally so that the results can be used for further calculation of electronic properties like lattice constant, band plot, TDOS and PDOS plots, magnetic properties etc. From these calculations ultra-soft pseudopotential with Schrodinger relativistic treatment having Hubbard U values Up =7eV and Ud =9eV improved the electronic properties. Utilizing these parameters, the calculated band gap is 3.628 eV with 0.77% of difference in comparison with the experimental data. Then the results from the TDOS and PDOS plots are discussed and analyzed. Symmetry nature of TDOS shows SnO2 has no magnetic behavior.","PeriodicalId":39883,"journal":{"name":"Tuijin Jishu/Journal of Propulsion Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138605990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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