International Journal of Ceramic Engineering & Science最新文献_第3页

Analysis of Slag Conditioners for Foam Control by Coupling Thermodynamic Calculations and Machine Learning Models 基于热力计算和机器学习模型的泡沫控制渣渣调节剂分析

International Journal of Ceramic Engineering & Science Pub Date : 2026-04-28 DOI: 10.1002/ces2.70050

L. O. Z. Falsetti, F. López, D. A. Souza, B. Laidens, V. C. Pandolfelli

{"title":"Analysis of Slag Conditioners for Foam Control by Coupling Thermodynamic Calculations and Machine Learning Models","authors":"L. O. Z. Falsetti, F. López, D. A. Souza, B. Laidens, V. C. Pandolfelli","doi":"10.1002/ces2.70050","DOIUrl":"https://doi.org/10.1002/ces2.70050","url":null,"abstract":"The slag foaming practice enables high energy efficiency in the electric arc furnace, and its optimization is based on empirical knowledge and process modeling. Thus, it is essential to predict the physical properties of slags, as this phenomenon depends on their density, surface tension, and viscosity. Although thermodynamic calculations provide insights into the chemical composition of slags in equilibrium with liquid steel and refractories, and commercial software packages (such as FactSage) include modules to estimate slag viscosity, there are limitations regarding the chemical species considered and the properties that can be forecasted. In this study, predictive models of surface tension, density, and viscosity are evaluated for their ability to estimate experimental properties of metallurgical slags. These models, developed for glass compositions using machine-learning algorithms, were subsequently validated on slags in this work. On the basis of their performance and limitations, a framework coupling FactSage and GlassNet was proposed and applied to investigate potential slag conditioners for controlling foamy slag. The tested candidates were silica sand, sodalite, and steel scale, and their effects on the characteristic times of foam collapse (or aging) were predicted in the results.","PeriodicalId":13948,"journal":{"name":"International Journal of Ceramic Engineering & Science","volume":"8 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ces2.70050","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148050218","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

International Journal of Ceramic Engineering & Science Pub Date : 2026-04-28

引用次数: 0

Evaluation of Iron-Phosphate Glass–Ceramic Waste Form for Electrorefiner Salt Waste Simulant Dechlorinated With Phosphoric Acid 磷酸脱氯电精盐废渣模拟剂磷酸铁玻璃陶瓷废渣形态评价

International Journal of Ceramic Engineering & Science Pub Date : 2026-04-21 DOI: 10.1002/ces2.70051

Harmony Werth, Paige Murray, Lucas Greiner, Jade Beland, Charmayne Lonergan, Brian Riley, Krista Carlson

{"title":"Evaluation of Iron-Phosphate Glass–Ceramic Waste Form for Electrorefiner Salt Waste Simulant Dechlorinated With Phosphoric Acid","authors":"Harmony Werth, Paige Murray, Lucas Greiner, Jade Beland, Charmayne Lonergan, Brian Riley, Krista Carlson","doi":"10.1002/ces2.70051","DOIUrl":"https://doi.org/10.1002/ces2.70051","url":null,"abstract":"The importance of glass and glass–ceramic nuclear waste forms has been reaffirmed in recent years by the growing interest in nuclear power as a reliable energy source. Determination of processing methods for the disposal of halide-containing wastes will be essential for the advancement of nuclear technologies such as non-aqueous fuel reprocessing. Phosphate-based dechlorination and subsequent vitrification of radioactive salt waste into an iron-phosphate waste form have been identified as a potential processing scheme for electrochemical processing waste. The impact of H3PO4-based dechlorination of complex salt mixtures on the vitrification process and structure of the final iron-phosphate waste form has not yet been investigated. In this work, iron-phosphate glass–ceramics were made from simulant salt waste (48LiCl–33KCl–19NaCl mol%) dechlorinated with the H3PO4-based method. The glass-forming region was compared to that of traditionally prepared Na2O–Fe2O3–P2O5 systems. For a candidate glass-forming composition, the processing scheme presented here was determined to favor Fe3+ species. The O/P molar ratio was consistent for the candidate composition when dechlorinated at 400°C and 600°C in air and argon environments, indicating glass network connectivity was maintained despite variations in processing parameters. The results presented here validate processing schemes requiring iron-phosphate waste form synthesis following H3PO4-based dechlorination.","PeriodicalId":13948,"journal":{"name":"International Journal of Ceramic Engineering & Science","volume":"8 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ces2.70051","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148049389","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

International Journal of Ceramic Engineering & Science Pub Date : 2026-04-21

引用次数: 0

A DFT Assessment on the Structural, Thermodynamic, and Electrical Properties of Transition Metal-Doped Gallium Arsenide Nanoclusters (GanAsn, Where n = 4, 5, and 6) 过渡金属掺杂砷化镓纳米团簇（GanAsn，其中n = 4,5和6）结构、热力学和电学性质的DFT评价

International Journal of Ceramic Engineering & Science Pub Date : 2026-03-23 DOI: 10.1002/ces2.70046

Suhita Kar Chowdhury, Noor Ahammad, Aoly Ur Rahman, Md. Kabir Uddin Sikder

{"title":"A DFT Assessment on the Structural, Thermodynamic, and Electrical Properties of Transition Metal-Doped Gallium Arsenide Nanoclusters (GanAsn, Where n = 4, 5, and 6)","authors":"Suhita Kar Chowdhury, Noor Ahammad, Aoly Ur Rahman, Md. Kabir Uddin Sikder","doi":"10.1002/ces2.70046","DOIUrl":"10.1002/ces2.70046","url":null,"abstract":"The foundation of advanced nanotechnology lies in the extensive attention given by researchers to the exceptional properties of nanomaterials. This work incorporates a computational investigation on structural, thermodynamic, and electrical properties of different gallium arsenide nanoclusters—GanAsn, where n = 4, 5, and 6, and the effect of doping with transition metals (TMs) (Cu and Ag) on them using density functional (DFT) theory. Since the structures exhibit no peaks in the imaginary IR frequency range, they tend to form naturally in their stable energy minima. Moreover, doping introduces higher reactivity and structural deformation in pristine nanoclusters, and alternating doping with a TM atom causes a significant impact on the pristine structure. The analyzed charge distribution suggests a remarkable increase in polarity due to TM-dopants, indicating the capability of electrostatic interactions of the systems with external molecules, an essential feature for developing sensors. In addition to this, the observed molecular orbitals signify the structures as semiconductors, having energy gaps ranging from 1.30 to 2.50 eV. Together, these findings suggest that the studied TM-doped gallium arsenide nanoclusters are applicable broadly in the next-generation semiconductor industry.","PeriodicalId":13948,"journal":{"name":"International Journal of Ceramic Engineering & Science","volume":"8 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://ceramics.onlinelibrary.wiley.com/doi/epdf/10.1002/ces2.70046","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147568042","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A DFT Assessment on the Structural, Thermodynamic, and Electrical Properties of Transition Metal-Doped Gallium Arsenide Nanoclusters (GanAsn, Where n = 4, 5, and 6) 过渡金属掺杂砷化镓纳米团簇（GanAsn，其中n = 4,5和6）结构、热力学和电学性质的DFT评价

International Journal of Ceramic Engineering & Science Pub Date : 2026-03-23 DOI: 10.1002/ces2.70046

Suhita Kar Chowdhury, Noor Ahammad, Aoly Ur Rahman, Md. Kabir Uddin Sikder

{"title":"A DFT Assessment on the Structural, Thermodynamic, and Electrical Properties of Transition Metal-Doped Gallium Arsenide Nanoclusters (GanAsn, Where n = 4, 5, and 6)","authors":"Suhita Kar Chowdhury, Noor Ahammad, Aoly Ur Rahman, Md. Kabir Uddin Sikder","doi":"10.1002/ces2.70046","DOIUrl":"https://doi.org/10.1002/ces2.70046","url":null,"abstract":"The foundation of advanced nanotechnology lies in the extensive attention given by researchers to the exceptional properties of nanomaterials. This work incorporates a computational investigation on structural, thermodynamic, and electrical properties of different gallium arsenide nanoclusters—GanAsn, where n = 4, 5, and 6, and the effect of doping with transition metals (TMs) (Cu and Ag) on them using density functional (DFT) theory. Since the structures exhibit no peaks in the imaginary IR frequency range, they tend to form naturally in their stable energy minima. Moreover, doping introduces higher reactivity and structural deformation in pristine nanoclusters, and alternating doping with a TM atom causes a significant impact on the pristine structure. The analyzed charge distribution suggests a remarkable increase in polarity due to TM-dopants, indicating the capability of electrostatic interactions of the systems with external molecules, an essential feature for developing sensors. In addition to this, the observed molecular orbitals signify the structures as semiconductors, having energy gaps ranging from 1.30 to 2.50 eV. Together, these findings suggest that the studied TM-doped gallium arsenide nanoclusters are applicable broadly in the next-generation semiconductor industry.","PeriodicalId":13948,"journal":{"name":"International Journal of Ceramic Engineering & Science","volume":"8 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://ceramics.onlinelibrary.wiley.com/doi/epdf/10.1002/ces2.70046","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147568239","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

International Journal of Ceramic Engineering & Science Pub Date : 2026-03-23

引用次数: 0

International Journal of Ceramic Engineering & Science Pub Date : 2026-03-20

引用次数: 0

Synthesis and Characterization of Metal-doped Chitosan-Hydroxyapatite Composites for the Tuning of Properties: Evaluating Antibacterial Activity and Drug Release 金属掺杂壳聚糖-羟基磷灰石复合材料的合成及性能表征：抗菌活性和药物释放评价

International Journal of Ceramic Engineering & Science Pub Date : 2026-03-18 DOI: 10.1002/ces2.70048

Bipul Mondal Sagar, Kazi Imtiaz Ahmed Nakib, Sanjida Khan, Subarna Sandhani Dey, Md. Lawshan Habib, Samina Ahmed, Md. Sahadat Hossain

{"title":"Synthesis and Characterization of Metal-doped Chitosan-Hydroxyapatite Composites for the Tuning of Properties: Evaluating Antibacterial Activity and Drug Release","authors":"Bipul Mondal Sagar, Kazi Imtiaz Ahmed Nakib, Sanjida Khan, Subarna Sandhani Dey, Md. Lawshan Habib, Samina Ahmed, Md. Sahadat Hossain","doi":"10.1002/ces2.70048","DOIUrl":"https://doi.org/10.1002/ces2.70048","url":null,"abstract":"The search for versatile, sustainable composites with enhanced antibacterial properties has been driven by the rising threat of antibiotic-resistant diseases and the need for advanced biomaterials for medication delivery. This work involves the synthesis and thorough characterization of chitosan-hydroxyapatite (CS-HAp) composites derived from snail and shrimp shells, respectively, doped with copper (Cu2+) and zinc (Zn2+) nanoparticles. A series of chemical processes, including demineralization, deproteinization, deacetylation, and calcination, was used to produce these composites. Metal doping was incorporated during the fabrication process. Fourier-transform infrared and X-ray diffraction analyses confirmed the successful integration and interaction of CS, HAp, and metal ions, and the crystalline structure remained intact during drug loading and release. Antimicrobial tests showed modest antibacterial activity, predominantly against Gram-positive Staphylococcus aureus, with increased effectiveness at higher metal ion concentrations. Thermogravimetric analysis demonstrated excellent heat stability. Specifically, in Zn-doped samples, drug release in simulated bodily fluid exhibited an initial rapid phase (80%–90% within 50 h), followed by sustained release. Overall, CS, HAp, and metal ions work synergistically to provide biocompatibility, structural integrity, and controlled drug delivery, as shown by the data.","PeriodicalId":13948,"journal":{"name":"International Journal of Ceramic Engineering & Science","volume":"8 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://ceramics.onlinelibrary.wiley.com/doi/epdf/10.1002/ces2.70048","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147566982","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

International Journal of Ceramic Engineering & Science Pub Date : 2026-03-18

引用次数: 0