Journal of the American Ceramic Society最新文献

{"title":"Numerical Study of Optical and Photothermal Properties of SiO2@AgxAu1–x Core–Shell Nanoparticles for Prostate Cancer","authors":"K. Abich, R. Masrour, A. Akouibaa, M. Benhamou","doi":"10.1111/jace.70874","DOIUrl":"https://doi.org/10.1111/jace.70874","url":null,"abstract":"<div>\u0000 \u0000 <p>Targeted photothermal therapy (PTT) using plasmonic nanoparticles represents a promising minimally invasive approach for prostate cancer (PrC) treatment. A finite element method (FEM) framework was first validated by reproducing the surface plasmon resonance (SPR) peak positions of <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mi>A</mi>\u0000 <msub>\u0000 <mi>g</mi>\u0000 <mi>x</mi>\u0000 </msub>\u0000 <mi>A</mi>\u0000 <msub>\u0000 <mi>u</mi>\u0000 <mrow>\u0000 <mn>1</mn>\u0000 <mo>−</mo>\u0000 <mi>x</mi>\u0000 </mrow>\u0000 </msub>\u0000 </mrow>\u0000 <annotation>${mathrm{A}}{{{mathrm{g}}}_x}{mathrm{A}}{{{mathrm{u}}}_{1 - x}}$</annotation>\u0000 </semantics></math> alloy nanospheres in water (WM), with compositions ranging from <i>x</i> = 1 (Ag) to <i>x</i> = 1 (Au), showing excellent agreement with experimental data. Based on this validation, the <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mi>A</mi>\u0000 <msub>\u0000 <mi>g</mi>\u0000 <mn>0.3</mn>\u0000 </msub>\u0000 <mi>A</mi>\u0000 <msub>\u0000 <mi>u</mi>\u0000 <mn>0.7</mn>\u0000 </msub>\u0000 </mrow>\u0000 <annotation>${mathrm{A}}{{{mathrm{g}}}_{0.3}}{mathrm{A}}{{{mathrm{u}}}_{0.7}}$</annotation>\u0000 </semantics></math> alloy was selected as an optimal composition and incorporated as the shell material in <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mi>Si</mi>\u0000 <msub>\u0000 <mi>O</mi>\u0000 <mn>2</mn>\u0000 </msub>\u0000 <mo>@</mo>\u0000 <mi>A</mi>\u0000 <msub>\u0000 <mi>g</mi>\u0000 <mn>0.3</mn>\u0000 </msub>\u0000 <mi>A</mi>\u0000 <msub>\u0000 <mi>u</mi>\u0000 <mn>0.7</mn>\u0000 </msub>\u0000 </mrow>\u0000 <annotation>${mathrm{Si}}{{{mathrm{O}}}_2}@{mathrm{A}}{{{mathrm{g}}}_{0.3}}{mathrm{A}}{{{mathrm{u}}}_{0.7}}$</annotation>\u0000 </semantics></math> core@shell nanoparticles (CSNPs) to evaluate its optical and thermoplasmonic properties in WM, human prostate tissue (HPT), and tumorous prostate tissue (TPT). The geometric ratio <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mo>(</mo>\u0000 <mi>β</mi>\u0000 <mo>=</mo>\u0000 <msub>\u0000 <mi>R</mi>\u0000 <mi>c</mi>\u0000 </msub>\u0000 <mo>/</mo>\u0000 <msub>\u0000 <mi>t","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"109 6","pages":""},"PeriodicalIF":3.8,"publicationDate":"2026-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148174657","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural, Mechanical, Thermal, and Optical Properties of Sb2O3–PbO–B2O3 Glasses: An Atomistic MD–DFT Study","authors":"Ahmed Shahboub,&nbsp;Gomaa El-Damrawi,&nbsp;Rawya Mohammed Ramdan,&nbsp;Mohammed Al-Zaibani","doi":"10.1111/jace.70894","DOIUrl":"https://doi.org/10.1111/jace.70894","url":null,"abstract":"<div>\u0000 \u0000 <p>This study examines the effects of antimony oxide (Sb₂O₃) substitution on <i>x</i>Sb₂O₃·(40−<i>x</i>)PbO·60B₂O₃ (<i>x</i> = 0–40 mol%), utilizing molecular dynamics (MD) and density functional theory (DFT) calculations to assess their structural, electronic, thermal, mechanical, and optical characteristics. The MD-generated densities show good agreement with experimental values, with deviations within approximately 0.1 g/cm³. Structural investigations show that adding more Sb₂O₃ converts tetrahedral BO₄ units into trigonal BO₃ units and forms trigonal-pyramidal SbO₃ units, while PbO mainly acts as a network modifier. The calculated N₄ ratio decreases from 0.44 to 0.15 with increasing Sb₂O₃ content, consistent with the experimental decrease from 0.47 to 0.11. Sb₂O₃ addition enhances mechanical rigidity, increasing Young's modulus from about 77 to 83 GPa, bulk modulus from 50 to 62 GPa, and shear modulus from 23 to 27 GPa, while reducing the thermal expansion coefficient. The electronic band gap shows a V-shaped trend, decreasing from 1.00 eV at 0 mol% Sb₂O₃ to 0.51 eV at 20 mol% Sb₂O₃, then increasing to 1.29 eV at 40 mol% Sb₂O₃. PDOS analysis attributes this behavior to the transition of the conduction-band edge from Pb-6p to Sb-5p states and localized tail states at intermediate compositions. Optical calculations show stronger absorption and higher refractive index with Sb₂O₃ addition due to enhanced Sb-related electronic polarizability.</p>\u0000 </div>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"109 6","pages":""},"PeriodicalIF":3.8,"publicationDate":"2026-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148174661","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structure-Informed Design of Float-Compatible Thin Glass Supported by Data-Driven Screening","authors":"Yekta Ateş Gösterişlioğlu,&nbsp;Banu Arslan,&nbsp;İlkay Sökmen,&nbsp;Miray Çelikbilek Ersundu,&nbsp;Ali Erçin Ersundu","doi":"10.1111/jace.70885","DOIUrl":"https://doi.org/10.1111/jace.70885","url":null,"abstract":"<p>Motivated by growing demand in electronics, automotive, photovoltaic, and architectural applications, thin-glass products offer substantial potential for material savings and reduced environmental impact, yet their widespread adoption is limited by mechanical instability and reliance on non-float manufacturing routes. In this work, we establish a comprehensive framework for the design of mechanically robust thin-glass compositions compatible with conventional float-glass production. The approach combines (i) structure-informed, composition–structure–property-driven design and (ii) data-driven screening based on artificial intelligence-assisted predictive modeling. While the data-driven approach is used to efficiently explore a broad compositional space and identify candidate glasses with high intrinsic elastic modulus and hardness, the primary optimization of chemical strengthening response and processability is achieved through structure-informed design. Glass compositions within the SiO₂–Al₂O₃–B₂O₃–RO–R′₂O system (R = Mg, Ca; R′ = Li, Na, K) were designed to target chemical temperability, mechanical durability, and float-line processability, and were evaluated through thermal, optical, structural, and mechanical analyses. The optimized compositions achieved stress layer depths up to ∼40 µm after chemical tempering, enabling high mechanical performance at reduced thickness. The best-performing glasses exhibited a ∼10% increase in fracture load and a ∼25% increase in surface hardness at a thickness of 0.75 mm. When benchmarked against standard 1.6 mm soda–lime–silica glass, this corresponds to a reduced areal weight of 1.85 kg m⁻² (∼50% lower mass) and an estimated ∼60% reduction in process-related CO₂ emissions per square meter, based on reduced material usage within the defined boundary. By integrating data-driven screening with structure-informed composition design, this work establishes a scalable pathway for next-generation thin flat glass development, supporting environmentally sustainable and energy-efficient glass manufacturing.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"109 6","pages":""},"PeriodicalIF":3.8,"publicationDate":"2026-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1111/jace.70885","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148174843","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Spatial Surface Mass Flux on Confined Fibers: DSMC Validation of a Kinetic-Theory Model for Forced-Flow CVI Deposition","authors":"Ege Can Ek,&nbsp;Reetesh Ranjan,&nbsp;Isabella Riggs,&nbsp;Vimal Ramanuj,&nbsp;Ramanan Sankaran,&nbsp;Murat Barisik","doi":"10.1111/jace.70896","DOIUrl":"https://doi.org/10.1111/jace.70896","url":null,"abstract":"<p>Chemical vapor infiltration (CVI) is widely used to manufacture ceramic matrix composites, but deposition non-uniformity and premature pore closure still limit processing time and cost. CVI operates at low pressures and in microscale pores, where non-equilibrium gas transport develops, making common continuum assumptions unreliable. Direct simulation Monte Carlo (DSMC) can resolve pore-scale rarefied transport and gas–surface interactions; however, it is too expensive for furnace-scale modeling. Practical CVI modeling relies on kinetic-theory-based macroscopic closures, which are often poorly described and rarely tested. Here, DSMC is used to test kinetic-theory surface-flux models at varying rarefaction and flow conditions. Local surface mass flux and deposition vary strongly with velocity but show no explicit dependence on Kn, in contrast to the channel mass flow rate exhibiting strong rarefaction dependence. The drifting-Maxwellian model accurately predicts face-resolved surface flux and deposition: upstream flux increases while downstream flux decreases with flow speed. At CVI-relevant low Mach numbers, the surface-averaged deposition remains close to the no-flow prediction due to a cancellation over a symmetric surface, explaining why total densification can appear consistent with diffusion-only models in the CVI literature. Finally, MTS–H₂ simulations confirm that deposition is predicted by the kinetic-theory flux multiplied by an adsorption probability for heterogeneous reaction.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"109 6","pages":""},"PeriodicalIF":3.8,"publicationDate":"2026-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1111/jace.70896","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148174875","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of Iron on the Structure, Stability, and Hydration of Ye'elimite (Calcium Sulfoaluminate Phase)","authors":"Bipina Thaivalappil,&nbsp;P. S. V. R. A. Kishor,&nbsp;Aslam Kunhi Mohamed,&nbsp;Piyush Chaunsali","doi":"10.1111/jace.70876","DOIUrl":"https://doi.org/10.1111/jace.70876","url":null,"abstract":"<div>\u0000 \u0000 <p>Calcium sulfoaluminate (CSA) cement is a low CO₂ cement having rapid hardening and shrinkage-compensating characteristics. This study investigates the influence of iron content in the raw mix (5%–20% by weight) on the formation of ye'elimite, the primary phase of CSA cement. Iron is unavoidably present in the raw materials used for CSA clinker production, and its content is increased even more when iron-rich industrial by-products are used in the raw mix. While previous studies have reported that iron promotes the stabilization of cubic ye'elimite at the expense of its orthorhombic form, the underlying mechanism remains unclear. In this study, the structural changes in the crystal structure transformation of the ye'elimite phase from orthorhombic to cubic due to the addition of iron are elucidated using density functional theory. Additionally, the effects of iron incorporation on the composition, microstructure, thermal stability, and hydration of ye'elimite are examined. While iron promotes the cubic ye'elimite polymorph, the hydration of iron-incorporated ye'elimite is influenced by multiple intertwined mechanisms involving structural substitution, proportion of ye'elimite, presence of sulfates, and secondary phases.</p>\u0000 </div>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"109 6","pages":""},"PeriodicalIF":3.8,"publicationDate":"2026-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148174878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Feasibility of Sodium Hydroxide Treatment to Improve the Reactivity of Dolomite in Metakaolin-Based Geopolymers","authors":"Shihai Gui,&nbsp;Bofeng Jin,&nbsp;Prannoy Suraneni,&nbsp;Xu Chen","doi":"10.1111/jace.70881","DOIUrl":"https://doi.org/10.1111/jace.70881","url":null,"abstract":"<div>\u0000 \u0000 <p>Dolomite (DM) is an abundant mineral, but due to its low reactivity, it is mostly used as an inert filler in geopolymers (GPs). Existing activation methods cannot solve this problem in a low-carbon and efficient way. A low-carbon method, treating DM with sodium hydroxide solution, is proposed to improve the reactivity of DM. Alkali treatment effectively mitigates the retarding effect of raw DM, offsetting 69% of the total retarded time caused by the addition of 10 wt% raw DM, as evidenced by Vicat penetration and isothermal calorimetry. This acceleration is attributed to the promoted dissolution of metakaolin and increased precipitation of GP gels, as determined by chemical extraction. Furthermore, Fourier transform infrared spectroscopy analysis corroborates this structural evolution by revealing a reduced Si/Al ratio within the gel network. Mechanistically, the process is driven by DM dissolution, which yields Ca(OH)₂, Mg(OH)₂, and CaCO₃ precipitates, as confirmed by X-ray diffractometer and thermogravimetric analysis-differential scanning calorimetry analyses. Consequently, this strategy effectively enhances DM reactivity and promotes GP hardening.</p>\u0000 </div>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"109 6","pages":""},"PeriodicalIF":3.8,"publicationDate":"2026-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148174655","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"109 6","pages":""},"PeriodicalIF":3.8,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148091900","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"109 6","pages":""},"PeriodicalIF":3.8,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148091912","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"109 6","pages":""},"PeriodicalIF":3.8,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148091909","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"109 6","pages":""},"PeriodicalIF":3.8,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148091911","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}