Pub Date : 2023-03-31DOI: 10.1590/1980-5373-mr-2022-0306
Dr.K.K. Arun, N. M. Jasmin, V. V. Kamesh, V. Pramod, S. Krishnaraj, V. Suresh, Ramaswamy Subbiah
The Artificial Neural Network (ANN) techniques were utilized to predict wear rate and CoF of the Ti-5Al-2.5Sn matrix reinforced with B 4 C particle manufactured by the powder metallurgy. TMCs and wear test samples were characterized by the Scanning Electron Microscope (SEM). Dry sliding wear narrative of the composites was estimated on a pin-on-disc machine at various loads of 20-60N, sliding velocity of 2-6m/s and sliding distance from 1000m-3000m. The wear rate of the composite was reduced by augmentation in weight fraction of boron carbide from 3-9%. The benefits of interfacial TMCs with B 4 C are: increase in strength, wear-resistance, and volume fraction. ANN was planned and utilizes a Levenburg-Marquardt program algorithm to reduce the mean squared error using a back-propagation technique. The input parameters are considered to include load, sliding velocity, and sliding distance. The experimental results of an ANN model and regression model are compared. ANN replicas have been urbanized to foreshow experimental rate of wear and CoF of TMCs and examined that ANN predictions have exceptional concord with deliberated values. Accordingly, the prediction of wear rate and CoF of TMCs using ANN in earlier actual manufacture will significantly save the manufacturing time, exertion, and expenditure.
{"title":"Applications of Artificial Neural Network Simulation for Prediction of Wear Rate and Coefficient of Friction Titanium Matrix Composites","authors":"Dr.K.K. Arun, N. M. Jasmin, V. V. Kamesh, V. Pramod, S. Krishnaraj, V. Suresh, Ramaswamy Subbiah","doi":"10.1590/1980-5373-mr-2022-0306","DOIUrl":"https://doi.org/10.1590/1980-5373-mr-2022-0306","url":null,"abstract":"The Artificial Neural Network (ANN) techniques were utilized to predict wear rate and CoF of the Ti-5Al-2.5Sn matrix reinforced with B 4 C particle manufactured by the powder metallurgy. TMCs and wear test samples were characterized by the Scanning Electron Microscope (SEM). Dry sliding wear narrative of the composites was estimated on a pin-on-disc machine at various loads of 20-60N, sliding velocity of 2-6m/s and sliding distance from 1000m-3000m. The wear rate of the composite was reduced by augmentation in weight fraction of boron carbide from 3-9%. The benefits of interfacial TMCs with B 4 C are: increase in strength, wear-resistance, and volume fraction. ANN was planned and utilizes a Levenburg-Marquardt program algorithm to reduce the mean squared error using a back-propagation technique. The input parameters are considered to include load, sliding velocity, and sliding distance. The experimental results of an ANN model and regression model are compared. ANN replicas have been urbanized to foreshow experimental rate of wear and CoF of TMCs and examined that ANN predictions have exceptional concord with deliberated values. Accordingly, the prediction of wear rate and CoF of TMCs using ANN in earlier actual manufacture will significantly save the manufacturing time, exertion, and expenditure.","PeriodicalId":18331,"journal":{"name":"Materials Research-ibero-american Journal of Materials","volume":"1 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67302340","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-31DOI: 10.1590/1980-5373-mr-2022-0216
Felipe Buboltz Ferreira, J. Klug, J. Pereira, W. V. Bielefeldt, A. Vilela
The continuous casting tundish is the last metallurgical reactor where molten metal flows before solidifying in the continuous casting mold. A tundish covering powder can be used for improving steel cleanliness; in this case it is named ‘active tundish slag’. The objective of this work is to evaluate, in laboratory, the effect of three kinds of tundish covering powders on cleanliness for a SAE 1055 modified steel - a Ca-aluminate, a Ca-Mg-aluminate, and an Al-silicate powder, analysing their interaction with rice hull ash. The forementioned materials were molten on liquid steel, representing different kinds of tundish covering powders which are used in the steel industry: a Ca-Mg-aluminate, an Al-silicate, and a Ca-aluminate. Experiments were performed with and without a top layer of rice hull ash, simulating industrial conditions. Distribution, density, and mean diameter of inclusions were measured through automated inclusion analyses. Through computational thermodynamics it was possible to evaluate deviation from saturation (considering Al 2 O 3 and MgO from refractory) and slag viscosity. It can be stated that the Ca-aluminate tundish covering powder gives better results regarding cleanliness for the SAE 1055 modified steel under laboratory conditions.
{"title":"Laboratory Evaluation of Tundish Covering Powders and Rice Hull Ash on Cleanliness for a SAE 1055 Modified Steel","authors":"Felipe Buboltz Ferreira, J. Klug, J. Pereira, W. V. Bielefeldt, A. Vilela","doi":"10.1590/1980-5373-mr-2022-0216","DOIUrl":"https://doi.org/10.1590/1980-5373-mr-2022-0216","url":null,"abstract":"The continuous casting tundish is the last metallurgical reactor where molten metal flows before solidifying in the continuous casting mold. A tundish covering powder can be used for improving steel cleanliness; in this case it is named ‘active tundish slag’. The objective of this work is to evaluate, in laboratory, the effect of three kinds of tundish covering powders on cleanliness for a SAE 1055 modified steel - a Ca-aluminate, a Ca-Mg-aluminate, and an Al-silicate powder, analysing their interaction with rice hull ash. The forementioned materials were molten on liquid steel, representing different kinds of tundish covering powders which are used in the steel industry: a Ca-Mg-aluminate, an Al-silicate, and a Ca-aluminate. Experiments were performed with and without a top layer of rice hull ash, simulating industrial conditions. Distribution, density, and mean diameter of inclusions were measured through automated inclusion analyses. Through computational thermodynamics it was possible to evaluate deviation from saturation (considering Al 2 O 3 and MgO from refractory) and slag viscosity. It can be stated that the Ca-aluminate tundish covering powder gives better results regarding cleanliness for the SAE 1055 modified steel under laboratory conditions.","PeriodicalId":18331,"journal":{"name":"Materials Research-ibero-american Journal of Materials","volume":"1 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67301869","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-31DOI: 10.1590/1980-5373-mr-2022-0237
R. A. G. Matos, J. Mendes, B. Kuffner, M. Melo, G. Silva
,
{"title":"Evaluation of X22CrMoV12-1 Alloy with Vanadium Carbide Addition Submitted to Powder Metallurgy","authors":"R. A. G. Matos, J. Mendes, B. Kuffner, M. Melo, G. Silva","doi":"10.1590/1980-5373-mr-2022-0237","DOIUrl":"https://doi.org/10.1590/1980-5373-mr-2022-0237","url":null,"abstract":",","PeriodicalId":18331,"journal":{"name":"Materials Research-ibero-american Journal of Materials","volume":"150 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67301586","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-27DOI: 10.1590/1980-5373-mr-2022-0444
C. Xia, Yinggang Liu, Xiaoguo Song, Famin Cong
The laser welded joint of 2000MPa cold rolled annealed hot pressed steel (PHS) is easy to break during cold rolling. In this paper, the laser welding method is used to butt weld four kinds of PHS2000 with a thickness of 3.5mm. The four kinds of PHS2000 steel are added with elements of 0% Nb, 0.04% Nb, 0.06% Nb + Cr and 0.08% Nb + Cr. The microstructure of the four kinds of welded joints is compared and analyzed. The mechanical properties of the four kinds of joints are compared through hardness test and tensile test. The results show that after adding 0.04% Nb, residual austenite appears in the weld zone and fully quenched zone, the width of columnar crystal decreases, the average hardness of the weld zone decreases from 595HV to 408HV, and the tensile strength increases from 608MPa to more than 800MPa. For chromium containing steel, the increase of niobium content can reduce the size of columnar crystal in weld zone.
{"title":"Effect of Microalloying on Microstructure and Mechanical Properties of Laser Weld of PHS Steel","authors":"C. Xia, Yinggang Liu, Xiaoguo Song, Famin Cong","doi":"10.1590/1980-5373-mr-2022-0444","DOIUrl":"https://doi.org/10.1590/1980-5373-mr-2022-0444","url":null,"abstract":"The laser welded joint of 2000MPa cold rolled annealed hot pressed steel (PHS) is easy to break during cold rolling. In this paper, the laser welding method is used to butt weld four kinds of PHS2000 with a thickness of 3.5mm. The four kinds of PHS2000 steel are added with elements of 0% Nb, 0.04% Nb, 0.06% Nb + Cr and 0.08% Nb + Cr. The microstructure of the four kinds of welded joints is compared and analyzed. The mechanical properties of the four kinds of joints are compared through hardness test and tensile test. The results show that after adding 0.04% Nb, residual austenite appears in the weld zone and fully quenched zone, the width of columnar crystal decreases, the average hardness of the weld zone decreases from 595HV to 408HV, and the tensile strength increases from 608MPa to more than 800MPa. For chromium containing steel, the increase of niobium content can reduce the size of columnar crystal in weld zone.","PeriodicalId":18331,"journal":{"name":"Materials Research-ibero-american Journal of Materials","volume":"1 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67302743","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-27DOI: 10.1590/1980-5373-mr-2022-0516
M. Gan, Qi Wu, L. Long
The development of additive manufacturing (AM) technology provides higher feasibility for designing and manufacturing lattice structures. However, the manufacturing process usually generates residual deformation and stress, and even produces cracking, thus affecting the performance of the parts. This work establishes a simulation model of the Ti-6Al-4V lattice structures during laser powder bed fusion (LPBF) based on the inherent strain method. Effects of geometric lattice parameters (inclination angle, rod diameter, rod length) on the residual deformation and stress are analyzed. Based on the simulation results, measures for improving the quality of the lattice structures are proposed. The proposed model and simulation results can provide theoretical references for designing and manufacturing the lattice structures during practical engineering applications of LPBF.
{"title":"Prediction of Residual Deformation and Stress of Laser Powder Bed Fusion Manufactured Ti-6Al-4V Lattice Structures Based on Inherent Strain Method","authors":"M. Gan, Qi Wu, L. Long","doi":"10.1590/1980-5373-mr-2022-0516","DOIUrl":"https://doi.org/10.1590/1980-5373-mr-2022-0516","url":null,"abstract":"The development of additive manufacturing (AM) technology provides higher feasibility for designing and manufacturing lattice structures. However, the manufacturing process usually generates residual deformation and stress, and even produces cracking, thus affecting the performance of the parts. This work establishes a simulation model of the Ti-6Al-4V lattice structures during laser powder bed fusion (LPBF) based on the inherent strain method. Effects of geometric lattice parameters (inclination angle, rod diameter, rod length) on the residual deformation and stress are analyzed. Based on the simulation results, measures for improving the quality of the lattice structures are proposed. The proposed model and simulation results can provide theoretical references for designing and manufacturing the lattice structures during practical engineering applications of LPBF.","PeriodicalId":18331,"journal":{"name":"Materials Research-ibero-american Journal of Materials","volume":"12 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67303435","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-27DOI: 10.1590/1980-5373-mr-2022-0196
E. Mohan, G. Anbuchezhiyan, R. Pugazhenthi, F. P. Prakash
The current investigation presents the wear-worn surface analysis of a silicon carbide-reinforced brass-based composite synthesized by stir casting. Wear behavior of the brass composite pin was analyzed by disc tribometer. Wear characterization studies and confirmation of elemental composition are investigated through scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) respectively. The worn surface of the synthesized brass composite was analyzed using atomic force microscopy (AFM). The aim of the investigation is to examine the surface morphology of the worn specimen. Based on the input constraints, the wear rate ranges from 0.0135 to 0.0893 mm 3 /min. The applied load is the predominant factor in the wear rate (83.75%). Sliding velocity has a minor effect on wear rate (1.06%). The improved surface roughness of 15.27 nm was produced on the worn surface. The novelty of the research work is to study the various surface parameters of the worn surface, such as roughness average, root mean square roughness, maximum height of the roughness, skewness, and kurtosis. These parameters were analyzed at different wear-worn surfaces of the synthesized brass composite. The wear-worn surface was deeply investigated and incorporated with SEM and AFM analysis.
{"title":"Wear Behavior of Brass Based Composite Reinforced with SiC and Produced by Stir Casting Process","authors":"E. Mohan, G. Anbuchezhiyan, R. Pugazhenthi, F. P. Prakash","doi":"10.1590/1980-5373-mr-2022-0196","DOIUrl":"https://doi.org/10.1590/1980-5373-mr-2022-0196","url":null,"abstract":"The current investigation presents the wear-worn surface analysis of a silicon carbide-reinforced brass-based composite synthesized by stir casting. Wear behavior of the brass composite pin was analyzed by disc tribometer. Wear characterization studies and confirmation of elemental composition are investigated through scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) respectively. The worn surface of the synthesized brass composite was analyzed using atomic force microscopy (AFM). The aim of the investigation is to examine the surface morphology of the worn specimen. Based on the input constraints, the wear rate ranges from 0.0135 to 0.0893 mm 3 /min. The applied load is the predominant factor in the wear rate (83.75%). Sliding velocity has a minor effect on wear rate (1.06%). The improved surface roughness of 15.27 nm was produced on the worn surface. The novelty of the research work is to study the various surface parameters of the worn surface, such as roughness average, root mean square roughness, maximum height of the roughness, skewness, and kurtosis. These parameters were analyzed at different wear-worn surfaces of the synthesized brass composite. The wear-worn surface was deeply investigated and incorporated with SEM and AFM analysis.","PeriodicalId":18331,"journal":{"name":"Materials Research-ibero-american Journal of Materials","volume":"28 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67301618","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-24DOI: 10.1590/1980-5373-mr-2022-0437
K. Muralishwara, L. Fernandes, Rushal Kalkura, Sachin Bangera
Due to their biodegradability, affordability, low density, and numerous other benefits, natural fiber polymer composites are preferable to conventional GFRP in maritime applications. However, when exposed to moisture, their mechanical qualities deteriorate. A significant agricultural waste called pineapple leaf fiber (PALF) can be employed as reinforcement in epoxy matrices. Improved interfacial bonding between phases improves interfacial bonding and hence enhance mechanical and water absorption properties. Only evaluation of mechanical properties is undertaken in this paper. Nanoclay in 1.5 and 3 wt% was incorporated in epoxy resin via magnetic stirring and ultrasonication. PALF fibers were subjected to NaOH treatment and was analyzed using SEM and FTIR techniques. Hand layup and compression moulding were used to fabricate composites using a nanoclay-epoxy resin combination and chemically treated PALF (20 & 30 wt%). The combination of 30 wt% PALF and 1.5 wt% nanoclay results in the maximum mechanical properties, namely tensile and flexural properties. The results of SEM investigation of fractured specimens show that interfacial bonding in epoxy composites containing PALF is poor while that in epoxy composites containing PALF and 1.5 wt% nanoclay is excellent. Due to nanoclay agglomerations, bonding is inadequate at 3 wt% nanoclay, which lowers the mechanical properties.
{"title":"Effect of Surface Modified Montmorillonite Nanoclay on Tensile and Flexural Properties of Pineapple Leaf Fiber Reinforced Epoxy Composite","authors":"K. Muralishwara, L. Fernandes, Rushal Kalkura, Sachin Bangera","doi":"10.1590/1980-5373-mr-2022-0437","DOIUrl":"https://doi.org/10.1590/1980-5373-mr-2022-0437","url":null,"abstract":"Due to their biodegradability, affordability, low density, and numerous other benefits, natural fiber polymer composites are preferable to conventional GFRP in maritime applications. However, when exposed to moisture, their mechanical qualities deteriorate. A significant agricultural waste called pineapple leaf fiber (PALF) can be employed as reinforcement in epoxy matrices. Improved interfacial bonding between phases improves interfacial bonding and hence enhance mechanical and water absorption properties. Only evaluation of mechanical properties is undertaken in this paper. Nanoclay in 1.5 and 3 wt% was incorporated in epoxy resin via magnetic stirring and ultrasonication. PALF fibers were subjected to NaOH treatment and was analyzed using SEM and FTIR techniques. Hand layup and compression moulding were used to fabricate composites using a nanoclay-epoxy resin combination and chemically treated PALF (20 & 30 wt%). The combination of 30 wt% PALF and 1.5 wt% nanoclay results in the maximum mechanical properties, namely tensile and flexural properties. The results of SEM investigation of fractured specimens show that interfacial bonding in epoxy composites containing PALF is poor while that in epoxy composites containing PALF and 1.5 wt% nanoclay is excellent. Due to nanoclay agglomerations, bonding is inadequate at 3 wt% nanoclay, which lowers the mechanical properties.","PeriodicalId":18331,"journal":{"name":"Materials Research-ibero-american Journal of Materials","volume":"1 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67302725","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-24DOI: 10.1590/1980-5373-mr-2022-0273
M. F. Andrade, M. C. Teixeira, M. Pereira
Materials produced by additive manufacturing (AM) have been extremely related to literature. However, there is still unconsolidated knowledge about the fatigue life and respective mechanisms of initiation of cracks predominant in the VHCF regime for these materials. What has been observed in materials produced by conventional routes is that fatigue cracks tend to nucleate from intrinsic defects of the material located internally or in subsurface regions. The change in the evolution process of fatigue cracks leads to the formation of a characteristic morphology on the fracture surface, known as “fish-eye”. Another widespread aspect observed on the fracture surfaces is the formation of a fine granular area (FGA) nearby the initiation sites. This work aims to investigate the mechanisms of crack nucleation in VHCF of two distinct materials: conventional steel, DIN 34CrNiMo6 and AISI 316L stainless steel produced by L-DED. The ultrasonic tests were carried out at a frequency of 20±0,5 kHz and R= -1. The S-N curves were obtained and fracture surfaces were analyzed, fish-eye and FGA formation was verified. FGA sizes were compared to values estimated by empirical equations. FGA and fish-eye sizes were related to stress amplitude and maximum stress intensity factor (SIF).
{"title":"Experimental Study of VHCF Fractographic Features of Conventionally and Additively Manufactured Steels","authors":"M. F. Andrade, M. C. Teixeira, M. Pereira","doi":"10.1590/1980-5373-mr-2022-0273","DOIUrl":"https://doi.org/10.1590/1980-5373-mr-2022-0273","url":null,"abstract":"Materials produced by additive manufacturing (AM) have been extremely related to literature. However, there is still unconsolidated knowledge about the fatigue life and respective mechanisms of initiation of cracks predominant in the VHCF regime for these materials. What has been observed in materials produced by conventional routes is that fatigue cracks tend to nucleate from intrinsic defects of the material located internally or in subsurface regions. The change in the evolution process of fatigue cracks leads to the formation of a characteristic morphology on the fracture surface, known as “fish-eye”. Another widespread aspect observed on the fracture surfaces is the formation of a fine granular area (FGA) nearby the initiation sites. This work aims to investigate the mechanisms of crack nucleation in VHCF of two distinct materials: conventional steel, DIN 34CrNiMo6 and AISI 316L stainless steel produced by L-DED. The ultrasonic tests were carried out at a frequency of 20±0,5 kHz and R= -1. The S-N curves were obtained and fracture surfaces were analyzed, fish-eye and FGA formation was verified. FGA sizes were compared to values estimated by empirical equations. FGA and fish-eye sizes were related to stress amplitude and maximum stress intensity factor (SIF).","PeriodicalId":18331,"journal":{"name":"Materials Research-ibero-american Journal of Materials","volume":"1 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67301934","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-24DOI: 10.1590/1980-5373-mr-2022-0371
In this paper, on the basis of first-principles, the CASTEP module of Materials Studio is used to calculate the band structures and optical properties of CuFeSe 2 and CuFeS 2 under the PBE pseudopotential of the generalized gradient approximation (GGA). The calculated results show that both CuFeSe 2 and CuFeS 2 are direct bandgap semiconductors with forbidden band widths of 0.64 eV and 1.06 eV, respectively. In the visible light range, the highest absorption coefficient of CuFeSe 2 is 1.082×10 5 cm -1 , the average reflectivity is 0.52, the maximum conductivity is 7.23 fs -1 , the electrostatic constant is 65.9; the maximum value the highest absorption coefficient of CuFeS 2 is 0.872×10 5 cm -1 , the average reflectivity is 0.44, the maximum conductivity is 4.44 fs -1 , the static dielectric constant is 52.32. The calculation results in this paper show that compared with CuFeS 2 , CuFeSe 2 has advantages in photoconductivity and carrier separation, but has disadvantages in band gap and reflectivity. It is recommended to combine the two materials to prepare tandem solar cells.
{"title":"First-Principles Comparative Study of CuFeSe2 and CuFeS2","authors":"","doi":"10.1590/1980-5373-mr-2022-0371","DOIUrl":"https://doi.org/10.1590/1980-5373-mr-2022-0371","url":null,"abstract":"In this paper, on the basis of first-principles, the CASTEP module of Materials Studio is used to calculate the band structures and optical properties of CuFeSe 2 and CuFeS 2 under the PBE pseudopotential of the generalized gradient approximation (GGA). The calculated results show that both CuFeSe 2 and CuFeS 2 are direct bandgap semiconductors with forbidden band widths of 0.64 eV and 1.06 eV, respectively. In the visible light range, the highest absorption coefficient of CuFeSe 2 is 1.082×10 5 cm -1 , the average reflectivity is 0.52, the maximum conductivity is 7.23 fs -1 , the electrostatic constant is 65.9; the maximum value the highest absorption coefficient of CuFeS 2 is 0.872×10 5 cm -1 , the average reflectivity is 0.44, the maximum conductivity is 4.44 fs -1 , the static dielectric constant is 52.32. The calculation results in this paper show that compared with CuFeS 2 , CuFeSe 2 has advantages in photoconductivity and carrier separation, but has disadvantages in band gap and reflectivity. It is recommended to combine the two materials to prepare tandem solar cells.","PeriodicalId":18331,"journal":{"name":"Materials Research-ibero-american Journal of Materials","volume":"1 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67302599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-24DOI: 10.1590/1980-5373-mr-2022-0358
A. El-Amoush, S. Al-Duheisat
.
{"title":"Plasma Hydrogenation of High-Carbon Structural Steel Wires under Different Prestressing Levels","authors":"A. El-Amoush, S. Al-Duheisat","doi":"10.1590/1980-5373-mr-2022-0358","DOIUrl":"https://doi.org/10.1590/1980-5373-mr-2022-0358","url":null,"abstract":".","PeriodicalId":18331,"journal":{"name":"Materials Research-ibero-american Journal of Materials","volume":"1 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67302156","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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