Journal of Non-crystalline Solids最新文献

{"title":"Tuning properties of amorphous boron via hydrogenation: An ab initio study","authors":"Murat Durandurdu","doi":"10.1016/j.jnoncrysol.2025.123874","DOIUrl":"10.1016/j.jnoncrysol.2025.123874","url":null,"abstract":"<div><div>Ab initio simulations are employed to investigate the structural, mechanical, and electronic properties of hydrogenated amorphous boron (a-B:H) across a range of hydrogen concentrations (≈6–21 at.%). The results indicate that pentagonal-like boron clusters constitute the primary structural motifs. The bonding environment consists of both B–H terminal bonds and B–H–B bridging bonds, with the fraction of bridging bonds ranging from 10 % to 16 %. Increasing the hydrogen content leads to a reduction in density and bulk modulus, accompanied by a systematic widening of the electronic band gap. These results demonstrate that hydrogen incorporation profoundly modifies the atomic structure, softens the network, and enhances the semiconducting character of a-B:H, highlighting the tunability of properties in boron-based amorphous materials.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"673 ","pages":"Article 123874"},"PeriodicalIF":3.5,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145571130","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 and near-infrared acousto-optic properties of GeS2-As2S3 chalcogenide glass","authors":"Cheng Wang ,&nbsp;Yanqing Fu ,&nbsp;Chengwei Gao ,&nbsp;Shiliang Kang ,&nbsp;Linling Tan ,&nbsp;Lingling Jiang ,&nbsp;Zhongchao Wu ,&nbsp;Shixun Dai ,&nbsp;Changgui Lin","doi":"10.1016/j.jnoncrysol.2025.123900","DOIUrl":"10.1016/j.jnoncrysol.2025.123900","url":null,"abstract":"<div><div>Acousto-optic (AO) devices have attracted significant attention in laser technology owing to their excellent light modulation capabilities through acoustic-optical interactions. However, significant challenges still exist for AO materials in balancing excellent AO properties with the thermal stability and damage resistance needed for high-power laser systems. Herein, a series of xGeS₂-(100-x)As₂S₃ chalcogenide glass were developed, and the correlation between GeS₂-induced structural modifications and thermal, mechanical and AO properties were comprehensively explored. The introduction of GeS₂ leads to the gradual replacement of [AsS₃] pyramids with more stable [GeS₄] tetrahedra in the glass network, resulting in significantly enhanced glass network connectivity. The optimized 90GeS₂–10As₂S₃ glass exhibits excellent AO properties, low thermos-optic coefficient, and high laser damage threshold, demonstrating distinct advantages over TeO₂ crystal and commercially available As₂S₃, Ge₃₃As₁₂Se₅₅ and Ge₁₅Sb₂₄S₆₁ glasses, providing a new material option for the development of high-performance AO devices.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"673 ","pages":"Article 123900"},"PeriodicalIF":3.5,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681984","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 characterization of ZrCu thin films by ePDF correlated with morphological and analytical data","authors":"Heloisa H.P. Silva ,&nbsp;Angelo L. Gobbi ,&nbsp;Carlos A.R. Costa ,&nbsp;Edson R. Leite ,&nbsp;Jefferson Bettini","doi":"10.1016/j.jnoncrysol.2025.123877","DOIUrl":"10.1016/j.jnoncrysol.2025.123877","url":null,"abstract":"<div><div>ZrCu thin films were grown by DC magnetron sputtering across the full composition range to investigate the amorphization degree by pair distribution function obtained by electron diffraction. The length of structural coherence analysis, obtained from the electron pair distribution function and normalized by bond distances, proved to be a reliable parameter for quantifying amorphization. These analyses showed that alloys containing 20–50 at.% Zr exhibited the highest range of amorphization degree, with Zr38.2 presenting the strongest amorphous character. Morphological analysis using high-resolution transmission electron microscopy images and atomic force microscopy images reveals phase segregation in Zr22.1 and Zr79.5. Oxidation analyses conducted by electron energy loss spectroscopy and X-ray photon spectroscopy revealed that Zr-rich alloys experienced stronger oxidation, primarily due to the formation of a passivation layer rather than bulk incorporation. These findings provide a detailed correlation between structural and morphological features, validating theoretical predictions for the optimal amorphous range and contributing to the design of ZrCu-based metallic glasses.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"673 ","pages":"Article 123877"},"PeriodicalIF":3.5,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145616445","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":"Simple synthesis of low-cost CaO-SiO2 aerogels: improved energy efficiency of oil steam pipelines through excellent thermal insulation and temperature resistance","authors":"Qiang Zheng ,&nbsp;Lei Su ,&nbsp;Zhun Fan ,&nbsp;Chao Xu ,&nbsp;Qinxin Wang ,&nbsp;Wenjun Li ,&nbsp;Sheng Cui","doi":"10.1016/j.jnoncrysol.2025.123873","DOIUrl":"10.1016/j.jnoncrysol.2025.123873","url":null,"abstract":"<div><div>Petroleum steam pipeline insulation plays a crucial role in enhancing the efficiency of heavy crude oil extraction, but traditional insulation materials are prone to failure in high-temperature environments, affecting both efficiency and economics. Although pure silica aerogel exhibits excellent thermal insulation, its high cost limits large-scale applications. In this study, a novel glass fiber reinforced CaO-SiO₂ composite aerogel (G-CSA) synthesized by an in situ sol-gel method, was developed as a cost-effective alternative to pure silica aerogels through the incorporation of low-cost CaO.</div><div>G-CSA (Ca/Si = 1:1) exhibited a thermal conductivity of 0.02785 W/(m·K) at room temperature, which was 27.70 % lower than that of glass fiber mats. Its thermal conductivity at elevated temperatures is significantly lower than that of traditional thermal insulation materials, and it is comparable to pure silica aerogel. Under a 400 °C heat source, the cold surface temperature was 103.5 °C and the ΔT was 296.5 °C, yielding a thermal insulation performance of 74.13 % for G-CSA. The cost of CaO-SiO₂ composite aerogel is reduced by 35.67 % compared to the SiO₂ aerogel that is commercially available today. Through energy-saving simulation calculations, comparing G-CSA with rock wool and composite silicate, the fuel-saving rate is 39.92 % and 48.12 %, respectively, and a single steam pipe can save 1391.55 tonnes/year and 1929.25 tonnes/year of oil used for steam per year. Combined with its excellent temperature resistance thermal insulation properties and economy, CaO-SiO₂ composite aerogel shows great potential for industrial energy-saving applications.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"673 ","pages":"Article 123873"},"PeriodicalIF":3.5,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145571132","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":"Engineering TiO2-phosphate glass networks: A paradigm shift toward self-optimizing photocatalytic materials","authors":"Assamadi Chaima ,&nbsp;EL Bannay Abdelghani ,&nbsp;EL Binna Noureddine ,&nbsp;EL Masloumi Mohamed ,&nbsp;Sayeh Khadija ,&nbsp;Hasnaoui Ali ,&nbsp;AIT ALI Mustapha ,&nbsp;EL Abiad Abdelaziz ,&nbsp;Aouad Hakima","doi":"10.1016/j.jnoncrysol.2025.123868","DOIUrl":"10.1016/j.jnoncrysol.2025.123868","url":null,"abstract":"<div><div>This study presents the synthesis and characterization of TiO₂-doped phosphate glass-ceramics with composition (1–2x) ZnO<img>Na₂O-P₂O₅-xTiO₂ (0 ≤ <em>x</em> ≤ 0.05 mol%) for photocatalytic wastewater treatment. Materials were prepared via melt-quenching at 1000 °C, followed by a controlled two-step heat treatment to induce crystallization. Structural characterization by XRD, FTIR, SEM, and UV–Vis spectroscopy confirmed progressive formation of NaZn(PO₃)₃ and anatase TiO₂ crystalline phases. Thermal analysis revealed a systematic increase in glass transition temperature from 335 to 340 °C, indicating enhanced network rigidity through P-O-Ti bonding. FTIR spectra evidenced structural evolution from mixed Q¹-Q² phosphate environments to predominantly Q² metaphosphate units after crystallization, consistent with the P/O ratio 3. Density increased from 2.75 to 2.82 g·cm^-3 in glassy samples, while glass-ceramics exhibited slightly lower densities (2.60–2.69 g·cm^-3) due to crystallization-induced porosity. Optical bandgap decreased from 3.27 to 3.20 eV, improving visible-light absorption. Photocatalytic tests using MB under UV–visible irradiation demonstrated that ZNPT_0.04 glass-ceramic exhibited optimal activity with a degradation rate constant of 0.0149 min⁻¹, exceeding undoped glass by twofold. Optimum conditions were 0.4 g·L⁻¹ catalyst dose and pH 6. Scavenger experiments identified hydroxyl radicals and photogenerated holes as dominant reactive species. The material retained over 90% efficiency after seven consecutive cycles, demonstrating excellent reusability. These findings establish TiO₂-modified phosphate glass-ceramics as promising durable photocatalysts for sustainable environmental remediation.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"673 ","pages":"Article 123868"},"PeriodicalIF":3.5,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145571128","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":"Optimized reddish-orange emission in Pr3+ions doped Pb3O4–ZrO2–B2O3–SiO2 glasses for advanced photonic applications","authors":"Valluri Ravi Kumar ,&nbsp;K.Kiran Kumar ,&nbsp;L. Vijayalakshmi ,&nbsp;Jiseok Lim ,&nbsp;V. Ravi Kumar ,&nbsp;N. Veeraiah","doi":"10.1016/j.jnoncrysol.2025.123878","DOIUrl":"10.1016/j.jnoncrysol.2025.123878","url":null,"abstract":"<div><div>This study explores the structural and optical properties of Pb₃O₄-ZrO₂-B₂O₃-SiO₂ glasses mixed with different contents of praseodymium oxide (Pr₂O₃), synthesized via the melt-quenching technique. The unique combination of high-density Pb₃O₄, network forming B₂O₃–SiO₂, and thermally stabilizing ZrO₂ yields an amorphous and chemically durable glass matrix with tunable local field environments. The prepared glass samples were characterized using thermal and structural techniques (viz.<em>,</em> XRD, SEM, EDS, FT-IR) and spectroscopic analyses including UV–Vis–NIR absorption, photoluminescence (PL), lifetime measurements and Judd–Ofelt analysis. X-ray diffraction (XRD) and scanning electron microscopy (SEM) confirmed the amorphous and homogeneous nature of the prepared glasses, while differential scanning calorimetry (DSC) revealed a high glass transition temperature (400–450 °C) and excellent thermal stability. FT-IR spectra verified the presence of interconnected B–O–Si and Zr–O structural units, indicating a well-stabilized borosilicate network that enhances rigidity and chemical durability. Under 447 nm excitation (³H₄→³P₂) the emission spectra exhibited multiple bands in the visible and NIR regions. Among various transitions, the ³P₀→³F₂ transition at 646 nm is found to be the most intense (reddish-orange) emission. Among all compositions, the glass with 0.5 mol% of Pr³⁺ ions displayed superior thermal, optical, and luminescent properties, exhibiting a high quantum efficiency (η =75.74%), broad emission band width (∼ 13 nm), large emission cross-section 88.08 × 10^–20 cm² and radiative life time of ∼ 1.183 μs for the ³P₀→³F₂ transition. These findings establish this composition as a promising candidate for solid-state laser and optical amplifier applications owing to its enhanced reddish-orange luminescence and optimized radiative properties.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"673 ","pages":"Article 123878"},"PeriodicalIF":3.5,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145616012","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":"Investigation of the impact of silver additions on the properties of bioactive glass: Modeling and Monte Carlo simulation for potential dental and bone applications","authors":"Fariba Azamian ,&nbsp;Fariborz Sharifianjazi ,&nbsp;Masoumeh Khamehchi ,&nbsp;Ketevan Tavamaishvili ,&nbsp;Ketevan Mikeladze ,&nbsp;Nino Tebidze","doi":"10.1016/j.jnoncrysol.2025.123888","DOIUrl":"10.1016/j.jnoncrysol.2025.123888","url":null,"abstract":"<div><div>This study presents three mathematical models developed to predict ion release concentrations (Ag, Ca, P, Si), pH evolution, and osteoblast proliferation in SiO₂–P₂O₅–CaO–Ag₂O bioactive glasses containing 2, 4, and 6 mol% Ag₂O. The models comprise: (1) a modified Higuchi model for predicting ion release over time; (2) a sigmoidal function–based model describing pH variation in simulated body fluid (SBF); and (3) a Gaussian dose–response model estimating osteoblast proliferation using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. These models quantify the effects of time and pH on ion release, the influence of time and Ag₂O content on pH evolution, and the combined impact of these parameters on osteoblast proliferation. The models’ accuracy and reliability were validated against experimental data, yielding coefficients of variation of 2.5 %, 0.7 %, and 4.6 % for ion release, pH, and osteoblast proliferation, respectively—confirming their high predictive performance. Monte Carlo simulations were employed to optimize model parameters and evaluate prediction robustness, enabling a probabilistic assessment of model performance. Overall, this modeling framework provides reliable quantitative predictions and supports the rational design of bioactive glasses for biomedical applications, including bone tissue engineering and dental regeneration.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"673 ","pages":"Article 123888"},"PeriodicalIF":3.5,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145616014","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":"Assessing the reliability of chemically strengthened borosilicate glass vials under simulated scratching conditions","authors":"Jihun Jung ,&nbsp;Sung Hyun Woo ,&nbsp;Sehyun Oh ,&nbsp;Jung Heon Lee ,&nbsp;Hyeong-Jun Kim","doi":"10.1016/j.jnoncrysol.2025.123871","DOIUrl":"10.1016/j.jnoncrysol.2025.123871","url":null,"abstract":"<div><div>In this study, the mechanical degradation behavior of chemically strengthened borosilicate glass vials (BSGVs) was examined using a line simulator, which is a physical damage testing device designed to replicate real-world handling conditions. The simulator generates scratch damage through vial-to-vial impacts, enabling cumulative vial displacements of up to approximately 40 km. The compressive fracture load (CFL) was evaluated as a function of the rotation count (i.e., the total travel distance). For the non-strengthened BSGVs, a notable decrease in the CFL was observed beyond 20 km, driven by increased surface scratch density and the formation of subsurface cracks. In contrast, chemically strengthened BSGVs preserved their structural integrity owing to the presence of surface compressive stress and sufficient depth of layer, which enhanced the wear resistance and inhibited crack propagation. Whereas the non-strengthened BSGVs exhibited a practical durability limit at approximately 10.38 km, the chemically strengthened vials maintained stable performance up to 42.72 km. These findings demonstrate that chemical strengthening significantly improves the fracture resistance of BSGVs, thereby reducing the likelihood of breakage during both manufacturing processes and end-user handling.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"673 ","pages":"Article 123871"},"PeriodicalIF":3.5,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145616011","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":"Quantifying bonding preferences in oxide glass structures across a sub-nanometer scale. II. Second coordination sphere","authors":"Mattias Edén,&nbsp;Baltzar Stevensson","doi":"10.1016/j.jnoncrysol.2025.123864","DOIUrl":"10.1016/j.jnoncrysol.2025.123864","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Our previous paper (Edén and Stevensson, full citation to NOC123865) discussed the bonding preferences of the first-coordination spheres of the bridging oxygen (BO) and non-bridging oxygen (NBO) species with the network formers (&lt;span&gt;&lt;math&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;) and modifiers (&lt;span&gt;&lt;math&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;) in oxide glasses. This paper moves the spotlight onto the &lt;span&gt;&lt;math&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt; second coordination spheres, encompassing the preferential intermixing of the &lt;span&gt;&lt;math&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;O&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;p&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; network polyhedra along with the relative propensities of distinct network-modifier species (e.g., Na&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt; and Ca&lt;sup&gt;2＋&lt;/sup&gt;) to charge-balance the various anionic moieties of the glass network. The importance of accounting for the relative &lt;span&gt;&lt;math&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;–NBO and &lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mo&gt;′&lt;/mo&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt;–NBO bonding affinities is frequently overlooked when assessing the preferred and disfavored &lt;span&gt;&lt;math&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;–O–&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mo&gt;′&lt;/mo&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt; linkages in aluminosilicate and/or borosilicate (BS) glass networks. This aspect is illustrated in the context of B&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mrow&gt;&lt;mo&gt;[&lt;/mo&gt;&lt;mi&gt;p&lt;/mi&gt;&lt;mo&gt;]&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt;–O–B&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mrow&gt;&lt;mo&gt;[&lt;/mo&gt;&lt;mi&gt;q&lt;/mi&gt;&lt;mo&gt;]&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt; linkage preferences in BS glasses, as well as for assessing the relative preferences for forming B&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mrow&gt;&lt;mo&gt;[&lt;/mo&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;mo&gt;]&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt;–O–Si and B&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mrow&gt;&lt;mo&gt;[&lt;/mo&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;mo&gt;]&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt;–O–B&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mrow&gt;&lt;mo&gt;[&lt;/mo&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;mo&gt;]&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt; bridges, whose quantifications are revised and improved relative to an earlier study. Particular attention is given to the Al&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mrow&gt;&lt;mo&gt;[&lt;/mo&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;mo&gt;]&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt;–O–Al&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mrow&gt;&lt;mo&gt;[&lt;/mo&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;mo&gt;]&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt; and B&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mrow&gt;&lt;mo&gt;[&lt;/mo&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;mo&gt;]&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt;–O–B&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mrow&gt;&lt;mo&gt;[&lt;/mo&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;mo&gt;]&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt; linkages that have traditionally been postulated to be largely absent but have nonetheless been shown to exist to variable amounts in many Al and/or B bearing oxide glasses. We also review the results of a recent nuclear magnetic resonance (NMR) approach employed for estimating the relative preferences of B&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/m","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"673 ","pages":"Article 123864"},"PeriodicalIF":3.5,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145571134","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 deep recurrent learning framework for predicting saturation magnetic flux density in Fe-based metallic glasses","authors":"Yi-Cheng Wu ,&nbsp;Lei Yan ,&nbsp;Chen-Bo Ma ,&nbsp;Peng-Shuai Gao ,&nbsp;Dong-Peng Wang","doi":"10.1016/j.jnoncrysol.2025.123891","DOIUrl":"10.1016/j.jnoncrysol.2025.123891","url":null,"abstract":"<div><div>Fe-based metallic glasses (MGs) possess excellent soft magnetic properties, yet identifying compositions with high saturation magnetic flux density (<span><math><msub><mi>B</mi><mrow><mi>s</mi></mrow></msub></math></span>) remains a significant challenge due to the vast compositional design space and the inefficiency of conventional experimental approaches. Conventional machine learning (ML) models have been applied to accelerate this process, but their reliance on manually engineered descriptors limits generalizability across diverse alloy systems. In this study, we developed an end-to-end deep recurrent learning framework, comprising the vanilla recurrent neural network (RNN), long short-term memory (LSTM), and gated recurrent unit (GRU) architectures, to predict <span><math><msub><mi>B</mi><mrow><mi>s</mi></mrow></msub></math></span> directly from elemental composition data. The models automatically extracted feature representations from raw atomic percentage vectors, eliminating the need for manual feature construction. Using a curated dataset of experimentally reported Fe-based MGs, the LSTM and GRU models achieved test set <span><math><mrow><mi>R</mi><mi>²</mi></mrow></math></span> up to 0.95, outperforming representative conventional ML algorithms. Furthermore, SHapley Additive exPlanations (SHAP) were employed to enhance interpretability, which quantitatively revealed the relative importance of alloying elements in governing <span><math><msub><mi>B</mi><mrow><mi>s</mi></mrow></msub></math></span>. These findings provide mechanistic insights into compositional effects and demonstrate the potential of interpretable deep recurrent learning models as effective tools for the data-driven discovery and optimization of Fe-based MGs with enhanced magnetic performance.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"673 ","pages":"Article 123891"},"PeriodicalIF":3.5,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145616016","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}