Journal of Non-crystalline Solids最新文献

{"title":"Controlling the valence change of sulfur in glass during S K-edge XAFS measurements by conductive coating","authors":"Yoshitaka Saijo ,&nbsp;Saki Ozawa ,&nbsp;Tatsuya Miyajima ,&nbsp;Shinta Watanabe ,&nbsp;Hiroyuki Hijiya ,&nbsp;Kakeru Ninomiya ,&nbsp;Maiko Nishibori","doi":"10.1016/j.jnoncrysol.2025.123694","DOIUrl":"10.1016/j.jnoncrysol.2025.123694","url":null,"abstract":"<div><div>Sulfur is an important multivalent element for tuning glass properties. Analyzing the valence state of sulfur in glass is essential as it significantly influences the glass characteristics. X-ray absorption fine structure (XAFS) is a powerful technique for elucidating both the valence state and structural attributes of sulfur. However, alterations in the valence of sulfur during XAFS measurements present significant challenges. This study explores a method to control valence changes during S K-edge XAFS measurements. By applying a carbon coating to the surface of glass samples to prevent charging, spectra that accurately reflect the original redox state of sulfur were obtained, which was confirmed by the following: (1) The XAFS spectra of carbon-coated glass samples showed reasonable peak intensities for S²⁻ and S⁶⁺ compared to corresponding standard samples; (2) consistent spectra were obtained from repeated measurements at the same location; and (3) the peak intensity ratio of S²⁻ to the sum of S²⁻ and S⁶⁺ correlated well with the sulfur redox state determined by wavelength-dispersive X-ray fluorescence (WD-XRF). The extended measurement duration permitted by this technique also enabled the detection of small peaks at 2467 and 2469 eV in an amber glass sample, which are related to sulfide-proton (S²⁻–H⁺) and sulfide-ferric (S²⁻–Fe³⁺) bonds, respectively. Utilizing this method in conjunction with synchrotron light sources of increased brightness could further enhance the detection of such minor peaks and provide deeper insight into the structural characteristics of sulfur in glass and their influence on glass properties.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123694"},"PeriodicalIF":3.2,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144556853","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":"Deciphering vanadium redox and structure in aluminosilicate glass: A spectroscopic study","authors":"Adrien Donatini ,&nbsp;Peggy Georges ,&nbsp;Tiphaine Fevre ,&nbsp;Laurent Cormier ,&nbsp;Daniel R. Neuville","doi":"10.1016/j.jnoncrysol.2025.123689","DOIUrl":"10.1016/j.jnoncrysol.2025.123689","url":null,"abstract":"<div><div>Vanadium oxide can be used to color silicate glasses and to influence their crystallization behavior. However, vanadium’s role in glass is strongly dependent on its redox state and local structure, both of which are poorly understood. In this study, XANES, Raman and optical absorption spectroscopy were used to determine vanadium redox state in an aluminosilicate glass. Raman spectroscopy of oxidized and reduced samples allowed for the attribution of the Raman signatures of vanadium ions. The species present in the glass synthetized under air are [V⁵⁺O₅]^5-, [V⁵⁺O₄]^3- and [V⁴⁺O₅]^6-. When the glass is synthetized under reducing conditions, the redox state is a mixture of V³⁺ and [V⁴⁺O₅]^6-. Our results show that optical absorption spectroscopy is well-suited to monitor changes in V⁴⁺ concentration, while Raman spectroscopy allows the monitoring of V⁵⁺. Vanadium reduction mechanism was investigated by performing Raman and optical absorption spectroscopy measurements along a reduction profile. Our results show that V³⁺, V⁴⁺ and V⁵⁺ coexist over a range of oxygen fugacity. This leads to sample color not being linear with oxidation state as the coexistence of V³⁺ and V⁵⁺ might be responsible for the rise of another optical absorption that darkens the glass.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123689"},"PeriodicalIF":3.2,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549520","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":"Prediction of glass refractive index based on a multi-algorithm stacked integration model","authors":"Jiateng Li ,&nbsp;Jun Shen ,&nbsp;Zhihao Dong ,&nbsp;Feifan Li ,&nbsp;Mingxuan Zou ,&nbsp;Shaoyun Yin","doi":"10.1016/j.jnoncrysol.2025.123681","DOIUrl":"10.1016/j.jnoncrysol.2025.123681","url":null,"abstract":"<div><div>Machine learning (ML) has been recognized as a viable method to accelerate the design of materials with targeted properties. A number of composition–property relationships for modeling oxide glasses with machine learning have been recently reported, including density, modulus of elasticity, glass transition temperature, and refractive index. As we know, most current models for predicting the refractive index of glass compositions usually use a single machine learning algorithm. But a single machine learning model may not fully capture all complex relationships in the data, resulting in model bias. Herein, we use a multi-algorithm stacked integration approach—namely stacking different algorithms—to rectify model bias caused by a single algorithm. We provide insight into a new strategy of applying stacked integration models in oxide glass prediction. SPearman’s coefficients are used to discover relationships between features and target variables, combined with SHAP additive interpretation and analysis. In this paper, a stacked integration model is proposed to predict the refractive index of oxides, and RMSE is reduced by 3.6%–38% compared to a single model. The potential of stacked integration models to predict refractive index is proven through our work.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123681"},"PeriodicalIF":3.2,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144522659","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":"A review on viscosity and structure of high-temperature borosilicate melts","authors":"Lei Cui ,&nbsp;Peiyuan Ni ,&nbsp;Wei Lv ,&nbsp;Ying Li","doi":"10.1016/j.jnoncrysol.2025.123683","DOIUrl":"10.1016/j.jnoncrysol.2025.123683","url":null,"abstract":"<div><div>Borosilicate melts with optimal viscosity are critical for the production of high-performance glass, serving as functional materials in metallurgy and metal hot-working processes. The viscosity of these melts is intrinsically linked to their structure, which is governed by chemical composition and temperature. Consequently, the interplay between viscosity and structure in borosilicate melts has attracted significant research interest. This study reviews commonly employed methods to analyze the structure and viscosity of borosilicate melts, focusing on representative studies from 1964 to 2025 that investigate the effects of various oxide components. The addition of Na₂O, K₂O, Li₂O, CaO, BaO, CaF₂, and CeO₂ disrupts the melt network and decreases viscosity, whereas the impacts of MgO, Al₂O₃, TiO₂, La₂O₃, and Y₂O₃ remain less well understood. The observed discrepancies exist between viscosity measurements and theoretical predictions from the Arrhenius and Vogel-Fulcher-Tammann (VFT) models. This is particularly true for multicomponent oxide melts. However, these established models are still widely used in practical applications, due to the lack of alternative models with better performance across various material systems. Developing precise viscosity models may require optimizing critical parameters, integrating structural data, and employing machine learning techniques. Moreover, molecular dynamics (MD) simulations often yield viscosity predictions with substantial errors when compared to experimental results, underscoring the necessity for improved potential functions. This highlights the importance of uncovering the microscopic mechanisms linking MD structural parameters to melt viscosity.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123683"},"PeriodicalIF":3.2,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144535060","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":"Effect of Nb on thermal stability of Ni-Co-W-B metallic glasses: A kinetic study","authors":"Ziya Ozgur Yazici ,&nbsp;Enes Ersöz ,&nbsp;Aytekin Hitit ,&nbsp;Hakan Sahin","doi":"10.1016/j.jnoncrysol.2025.123690","DOIUrl":"10.1016/j.jnoncrysol.2025.123690","url":null,"abstract":"<div><div>In this study, the effect of Nb addition on the continuous heating diagram of the Ni-Co-W-B metallic glass alloy system was investigated, and the improvement in glass-forming ability and thermal stability was demonstrated. Based on differential scanning calorimetry (DSC) analyses performed under non-isothermal conditions, a theoretical continuous heating diagram was constructed using the well-known Kissinger kinetic equation. Furthermore, the boundary line of the transition from the amorphous to the crystalline phase was validated through isothermal heat treatments. The findings indicate that modifying the refractory element content by incorporating 6 at. % Nb into the alloy composition improves thermal stability at higher temperatures. The XRD results also demonstrate that the addition of Nb enhances the alloy's glass-forming ability threefold and increases the critical casting thickness from 0.5 mm to 1.5 mm. The local activation energy values calculated for different crystallization fractions indicate that the activation energies required for any given crystallization fraction in the Ni_32.75Co_22.55W_23.7B₁₅Nb₆ alloy are higher than those in Ni_35.116Co_24.184W_23.7B₁₇ the alloy. Furthermore, the primary crystallization phase boundary line in the continuous heating transformation diagram shifts to both higher temperatures and longer times. These results highlight the role of Nb addition in retarding the crystallization in the Ni-Co-W-B alloy system.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123690"},"PeriodicalIF":3.2,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144517778","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":"Corrigendum to “Sintering of different silica aerogels” [Journal of Non-Crystalline Solids 646 (2024) 123245]","authors":"Mihail P. Petkov","doi":"10.1016/j.jnoncrysol.2025.123685","DOIUrl":"10.1016/j.jnoncrysol.2025.123685","url":null,"abstract":"","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123685"},"PeriodicalIF":3.2,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144517779","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":"Correlation study between network structure and fluidity of high-BaO aluminosilicate melt: MD simulation and Raman spectroscopy","authors":"Wenguo Liu ,&nbsp;Ruisong Tan ,&nbsp;Haibin Zuo ,&nbsp;Jingsong Wang ,&nbsp;Qingguo Xue","doi":"10.1016/j.jnoncrysol.2025.123686","DOIUrl":"10.1016/j.jnoncrysol.2025.123686","url":null,"abstract":"<div><div>The BaO-bearing aluminosilicate melt plays a remarkable role in the preparation of glass-ceramics and molten iron production from blast furnace (BF). In this paper, the correlation study between network structure and fluidity of high-BaO aluminosilicate melt was investigated by molecular dynamics (MD) simulation and Raman spectroscopy, aiming to clarify the influence of high BaO content in the low-basicity slag melt. The results indicated that the viscosity decreased with an increase in BaO content from 0 to 20wt%, indicating that the depolymerization effect of O²⁻ provided by BaO was larger than the polymerization effect of Ba²⁺ caused by its charge compensation on [AlO₄]. Moreover, considering the mole concentration of BaO and Al₂O₃, a continuous increase of BaO would cause some excess Ba²⁺ ions to behave as network modifier instead of charge compensator, further reducing the degree of polymerization. MD simulation revealed that Si⁴⁺ formed four coordinated [SiO₄], and Al³⁺ could form four coordinated [AlO₄] and higher coordinated [AlO₅] and [AlO₆]. The content of free oxygen (O²⁻) and tri-clusters oxygen (O^t) was very low. The concentration of non-bridging oxygen (O⁻) increased significantly, whereas that of bridging oxygen decreased. Moreover, the macromolecular Si-based (<span><math><msubsup><mi>Q</mi><mrow><mi>S</mi><mi>i</mi></mrow><mi>n</mi></msubsup></math></span>) and Al-based (<span><math><msubsup><mi>Q</mi><mrow><mi>A</mi><mi>l</mi></mrow><mi>n</mi></msubsup></math></span>) units were broken down to generate more small molecular structure. Raman spectroscopy analysis also showed the similar depolymerization impact on Si-based structure, which indicated that the increase of BaO cut off the bridging oxygen connection between structural units and depolymerized the complex network structure of the melt.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123686"},"PeriodicalIF":3.2,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144502682","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":"Kinetic aspects of the liquid-to-glass transition for lead and borate glasses","authors":"Alexey A. Mashanov ,&nbsp;Michael I. Ojovan ,&nbsp;Migmar V. Darmaev","doi":"10.1016/j.jnoncrysol.2025.123684","DOIUrl":"10.1016/j.jnoncrysol.2025.123684","url":null,"abstract":"<div><div>We have examined the temperature dependence of the viscosity of lead and boron containing binary oxide glasses in the context of transition from the liquid to the vitreous state, including analysis of kinetic criterion of glass transition. For the studied glasses, it was established that the proportion of the fluctuation volume at Tg changes within a small range <em>f_g</em> ≈ 0.01 - 0.03 and depends weakly on the composition of the glasses. For glasses of the PbO-SiO₂, PbO-GeO₂, B₂O₃-Bi₂O₃, B₂O₃-Li₂O, B₂O₃-BaO, B₂O₃-Na₂O systems, both the temperature range determining the glass transition and the structural relaxation time were calculated. The calculation of these parameters near the glass transition temperature of the glasses was performed using the Williams-Landel-Ferry equation. For the specified glasses, the value of the temperature interval was <em>δT_g</em> = 9 – 17 K. It was found that for PbO-SiO₂ glass the dependence of <em>δT_g</em> on <em>T_g</em> is linear in the glass transition region. For PbO-GeO₂ and borate glasses an approximate linear correlation between <em>δT_g</em> and <em>T_g</em> is observed.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123684"},"PeriodicalIF":3.2,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144471389","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":"High-performance Al2O3-SiO2 aerogel/mullite fibre composites with exceptional thermal stability and ultralow thermal conductivity using dual-silicon-source strategy combined with silica sol deposition modification","authors":"Chuanqing Sun ,&nbsp;Zhanfeng Li ,&nbsp;Mengmeng Wang ,&nbsp;Honghua Liu ,&nbsp;Kui Ma ,&nbsp;Yang Wang ,&nbsp;Ruixiang Liu ,&nbsp;Futian Liu","doi":"10.1016/j.jnoncrysol.2025.123680","DOIUrl":"10.1016/j.jnoncrysol.2025.123680","url":null,"abstract":"<div><div>Driven by the urgent demand for lightweight and high-efficiency thermal insulation materials in aerospace and high-temperature industrial equipment, our study has further improved the temperature resistance and insulation properties of traditional aluminium-silicon matrix composites. We proposed an innovative dual-silicon-source system utilizing tetraethyl orthosilicate (TEOS) and large-particle silica sol (SS, <em>d</em> = 20 nm). Through a sol-gel method integrated with silica sol aging deposition, high-specific-surface-area Al₂O₃-SiO₂ aerogels (SS-ASA) and the mullite fibre-reinforced composites (SS-ASA/MF) were successfully fabricated. The dual-silicon-source strategy suppressed high-temperature creep flow by modulating gel network coarsening, while silica sol aging induced Al-O-Si bond reconfiguration, promoting in situ mullite phase nucleation. Remarkably, SS-ASA retained a high specific surface area of 143 m²/g even after thermal treatment at 1200 °C. When composited with mullite fibre mats, SS-ASA/MF exhibited outstanding integrated performance: under a 1000 °C closed heat source for 20 min, the cold-side temperature remained at 98.96 °C, with a thermal conductivity as low as 0.071 W·m^-¹·K^-¹ at 1000 °C. Notably, the composite showed no dimensional shrinkage after annealing at 1200 °C for 2 h, and only 1.5 % in the thickness direction after heat treatment at 1300 °C for 2 h. This work establishes a novel approach for optimizing Al₂O₃-SiO₂ aerogels and fibre-reinforced composites, demonstrating significant application potential in spacecraft thermal protection systems and high-temperature industrial kilns.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123680"},"PeriodicalIF":3.2,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144471390","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":"Co-relationship between bioactivity and mechanical properties on addition of ZrO2 in borophosphate glasses: In-vitro studies","authors":"Sushil Patel ,&nbsp;Pooja Yadav ,&nbsp;Arkaprabha Adhikari ,&nbsp;Gangadhar Mahar ,&nbsp;Peddy Satyanarayana ,&nbsp;Bramanandam Manavathi ,&nbsp;P Abdul Azeem","doi":"10.1016/j.jnoncrysol.2025.123679","DOIUrl":"10.1016/j.jnoncrysol.2025.123679","url":null,"abstract":"<div><div>The present study endeavours toward the investigation on the bioactivity and mechanical behaviour of ZrO₂ added borophosphate glasses having composition 40 B₂O₃ - 15 P₂O₅ - 20 CaO - (25-x) Li₂O - x ZrO₂ (where x (mol %) = 0.5, 1, 1.5, and 2) synthesized by melt quenching method. The effects of incorporating ZrO₂ into borophosphate glass matrix on its structural, physical, morphological, mechanical, and biological properties were studied. In-vitro bioactive behaviour of the glasses was confirmed by the formation of flake-like hydroxyapatite as observed in the FESEM image. Additionally, XRD and FTIR results showed a decrease in bioactive behavior with increasing ZrO₂ content in the glass matrix. The physical properties like density, molar volume, and excess volume, were measured to assess the changes in the borophosphate glass network. The weight loss of the ZrO₂ added borophosphate glasses and the change in the pH of the simulated body fluid were also studied. The assessment of mechanical properties suggests that the compressive strength ranged from 62.97–172.8 MPa and the micro-Vickers hardness value ranged from 4.36 to 5.7 GPa. The specific wear of the glass was calculated by measuring the weight loss that occurred during abrasion wear on a pin-on-disc setup. Cytotoxic behaviour was tested by using the MTT assay, which shows MG-63 cells are viable up to a concentration of 200 µg/mL. The present study evidently shows the fact that the incorporation of ZrO₂ in borophosphate glass matrix increases the mechanical properties at the expense of bioactivity.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123679"},"PeriodicalIF":3.2,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144366134","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}