Journal of Non-crystalline Solids最新文献

{"title":"Microstructural evolution of sealing glass materials with varied concentrations of B2O3 and SrO","authors":"Xiaobo He ,&nbsp;You Xue ,&nbsp;Yunting Hou ,&nbsp;Yixuan Lv ,&nbsp;Weizhong Han","doi":"10.1016/j.jnoncrysol.2025.123597","DOIUrl":"10.1016/j.jnoncrysol.2025.123597","url":null,"abstract":"<div><div>The sealing glass plays a central role in fuel cells by providing critical sealing functions, preventing the leakage and mixing of fuel and oxidant. The structure of sealing glasses for fuel cells is of paramount importance in determining their stability and performance at high temperature. This study investigated the effects of B₂O₃ and SrO on the microstructure and thermal properties of MgO-SrO-B₂O₃-Al₂O₃-SiO₂-(Na₂O) systems using high-temperature quenching, Raman spectroscopy, XPS, and DSC. For B₂O₃, increasing the B₂O₃/SiO₂ ratio initially enhanced structural polymerization: Q³ and Q⁴ units increased (bridging oxygen, O⁰: 34.19 % → 37.14 %) at ratios ≤1.3. However, ratios exceeding 1.8 reversed this trend, regenerating Q² units (O⁰: 31.42 % at ratio 2.5), revealing a critical transition mechanism between ratios 1.3∼1.8. Thermally, optimal B₂O₃/SiO₂ ratios (1.33) maximized transition and softening temperatures (580.1 °C, 735.5 °C), while excessive B₂O₃ reduced network integrity and performance (570.1 °C, 722.2 °C at ratio 2.5).For SrO, increasing SrO/SiO₂ ratios (0.83∼1.85) linearly reduced structural polymerization: Q³/Q² ratio decreased (1.433→0.243), bridging oxygen (BO) declined (73.59 %→57.37 %), and non-bridging oxygen (NBO) increased (26.41 %→42.63 %). As a network modifier, Sr²⁺ induced the breakdown of Si-O-Si bonds, resulting in a decrease of the glass transition temperature from 654.2 °C to 630.3 °C and a concurrent reduction of the softening temperature from 799.0 °C to 769.5 °C. These results elucidate the dual structural roles of B₂O₃ and the depolymerization effect of SrO, providing insights for tailoring high-temperature sealing material performance.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"664 ","pages":"Article 123597"},"PeriodicalIF":3.2,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143911862","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":"Origins of structural and electronic discrepancies in elemental chalcogen glass","authors":"Chong Qiao ,&nbsp;Qundao Xu ,&nbsp;Chongze Wang ,&nbsp;Rongchuan Gu ,&nbsp;Lanli Chen ,&nbsp;Shengzhao Wang ,&nbsp;Songyou Wang ,&nbsp;Cai-Zhuang Wang ,&nbsp;Ming Xu ,&nbsp;Xiangshui Miao","doi":"10.1016/j.jnoncrysol.2025.123588","DOIUrl":"10.1016/j.jnoncrysol.2025.123588","url":null,"abstract":"<div><div>Amorphous chalcogenide compounds have been extensively studied and widely utilized in advanced electronic and optical devices. In contrast to the significant attention devoted to these compounds, this work focuses on the structure and electronic properties of amorphous phases of elemental S, Se, and Te, investigated through <em>ab initio</em> molecular dynamics simulations. The results reveal that the local structures in amorphous S and Se predominantly consist of 2-coordinated configurations, leading to the formation of long chains. In contrast, amorphous Te exhibits defective octahedral configurations, resulting in interconnected network structures. As the electronegativity increases from Te to S, the void structures become significantly more pronounced, while the number of lone pair electrons shows a slight increase. Concurrently, the dynamic properties and bonding stabilities are markedly enhanced, which determine the stability of the glass. Moreover, the mobility gaps exhibit a notable enlargement with the increasing electronegativity. The localized mid-gap states, which facilitate electron migration, are observed in amorphous S, Se, and Te. However, these states are positioned near the valence bands in amorphous S and Se, whereas they reside deep within the mobility gap in amorphous Te. With the increase of electronegativity, the wide mobility gap and shallow localized state will make the electron migration become difficult in glass. This study offers profound insights into the nature of chalcogen glasses, paving the way for their strategic design and application in electronic and optoelectronic devices.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"663 ","pages":"Article 123588"},"PeriodicalIF":3.2,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143899607","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":"Optical properties of high entropy alloy CrNiTiSiZr films deposited by RF sputtering at different Ar working gas flows","authors":"Jin-Cherng Hsu ,&nbsp;Chia-Liang Chiang ,&nbsp;Swe-Kai Chen ,&nbsp;Yung-Shin Sun ,&nbsp;Hsing-Yu Wu","doi":"10.1016/j.jnoncrysol.2025.123585","DOIUrl":"10.1016/j.jnoncrysol.2025.123585","url":null,"abstract":"<div><div>In this study, HEA films of CrNiTiSiZr were fabricated using an RF sputtering system. The compositions and optical properties of these films, prepared under different argon pressures, were investigated. The samples were characterized using XRD, XPS, ellipsometry, and spectroscopy. Optical properties were analyzed and their band gaps were determined. XPS analysis revealed that the oxygen content in the films decreased as the argon flow rate decreased, but the XRD patterns did not change significantly. The HEAFs deposited at argon flow rates of 30–40 sccm exhibited the maximum variation in refractive index and extinction coefficient as the visible wavelength increased. When the film was deposited at 40 sccm, it exhibited the smallest energy gap and the lowest transmittance, indicating the highest metal content. These findings suggest that the present HEAFs could be applied in optical systems such as solar absorber coatings, optical filters, and mirrors.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"663 ","pages":"Article 123585"},"PeriodicalIF":3.2,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143895112","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, thermodynamic, electronic, optical and mechanical properties of amorphous BCxN1-x: A first-principles study","authors":"V.I. Ivashchenko ,&nbsp;P.E.A. Turchi ,&nbsp;V.I. Shevchenko ,&nbsp;Leonid Gorb ,&nbsp;Jerzy Leszczynski","doi":"10.1016/j.jnoncrysol.2025.123542","DOIUrl":"10.1016/j.jnoncrysol.2025.123542","url":null,"abstract":"<div><div>High-density amorphous boron carbonitride samples, a-BC_xN_1-x, for <em>x</em> = 0, 0.25, 0.5, 0.75, and 1, were generated using first-principles molecular dynamics simulations to investigate an effect of the substitution of N atoms by C atoms. The sample density varied in the range of 2.546 g/cm³ – 2.770 g/cm³ depending on composition. The structure, chemical bonding, optical (dielectric functions, reflectivity spectra), thermodynamic (vibration spectra, heat capacity at constant volume, Debye temperature) and mechanical (elastic moduli, Vickers hardness, stress-shear strain relations) properties were studied in detail. Threefold coordinated B and N atoms and fourfold coordinated C atoms are prevailed in each sample. All the amorphous samples are semiconductors, and their band gap decreases from 2.6 eV to 0.6 eV on approaching a-BC due to an increase in homopolar bonds. For all the samples, the minimum reflectivity is observed in the range of 1 eV – 11 eV (∼20 %). An increase of x in a-BC_xN_1-x leads to: lowering the frequencies of the optical branch of vibrational spectra; an increase of heat capacity; and a decrease of the Debye temperature at 300 K. The amorphous boron carbonitrides were found to be brittle materials. The correlation between sample density and fourfold coordinated B atoms, shear modulus, and Vickers hardness was revealed. The Vickers hardness varies non-monotonically with composition, and a-BN and a-BC_0.75N_0.25 samples exhibit the highest Vickers hardness and ideal shear strength due to their highest density and fourfold coordination of boron atoms. Considering these results, it is clear that amorphous boron carbonitrides can serve as hard semiconductor materials.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"662 ","pages":"Article 123542"},"PeriodicalIF":3.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143892193","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":"Shaping the future of high-temperature sensing: A review of silicon-based precursor-derived ceramic technology","authors":"Weiting Xu ,&nbsp;Yan Gao ,&nbsp;Xingang Luan","doi":"10.1016/j.jnoncrysol.2025.123572","DOIUrl":"10.1016/j.jnoncrysol.2025.123572","url":null,"abstract":"<div><div>This paper reviews the high-temperature properties of polymer-derived ceramics (PDCs) and their applications in high-temperature sensors. PDCs have demonstrated immense potential in aerospace and energy industries due to their exceptional high-temperature chemical stability and mechanical properties, including oxidation resistance, corrosion resistance, and creep resistance, as well as their outstanding electrical properties, such as high-temperature semiconductor and piezoresistive characteristics. This review provides an in-depth discussion of the applications of PDCs in high-temperature pressure sensors, strain gauges, temperature sensors, and heat flux sensors. It also explores methods to optimize the fabrication process of PDCs using additive manufacturing techniques and Ultrafast High-temperature Sintering (UHS). Additionally, the potential value of PDCs in high-temperature sensors is highlighted, along with the challenges and future directions for technological advancement. Some specific recommendations are provided to guide future research.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"663 ","pages":"Article 123572"},"PeriodicalIF":3.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143895113","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":"Molecular interactions in GO/C-S-H composites: Influence of calcium ions and functional groups","authors":"Shenyan Shang ,&nbsp;Junfei Zhang ,&nbsp;Luyao Duan ,&nbsp;Lei Zhang","doi":"10.1016/j.jnoncrysol.2025.123569","DOIUrl":"10.1016/j.jnoncrysol.2025.123569","url":null,"abstract":"<div><div>Despite advances in nanomaterial reinforcement, the molecular mechanisms by which graphene oxide (GO) enhances the toughness of calcium silicate hydrate (C-S-H) gel remain unclear, particularly in relation to the role of functional groups and calcium ions. This study investigates the mechanical and structural properties of GO enhanced C-S-H composites using molecular dynamics simulations under tensile and pull-out conditions. The results highlight the crucial roles of free calcium ions (Ca²⁺) and oxidized functional groups in determining interfacial interactions and material performance. Hydroxyl groups significantly enhance tensile strength and Young's modulus, while carboxyl groups improve shear resistance through mechanical interlocking. The study also shows that increasing GO nanosheet proportion of interface area strengthens the composite by enhancing interfacial bonding energy. Furthermore, the migration of a small number of Ca²⁺ ions toward GO nanosheets helps mitigate performance degradation caused by silicate chain damage. These insights contribute to optimizing GO/C-S-H composites for improved mechanical properties, with implications for advanced construction materials.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"662 ","pages":"Article 123569"},"PeriodicalIF":3.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143892194","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":"Fluoroalkane modified silica aerogels with excellent strength and self-cleaning property","authors":"Youmei Gao ,&nbsp;Chang Ru ,&nbsp;Shengnan Liu ,&nbsp;Xiaoyan Yuan ,&nbsp;Lixia Ren","doi":"10.1016/j.jnoncrysol.2025.123574","DOIUrl":"10.1016/j.jnoncrysol.2025.123574","url":null,"abstract":"<div><div>Silica aerogel, regarded as one of the lightest solid materials with porous structures, shows properties such as low thermal conductivity, high porosity, and extensive surface area, making it highly suitable for application in pipeline thermal insulation, aerospace engineering, oil-water separation, and various other fields. However, due to the neck effect in the pearl-like network formed by the direct and random interconnection between silica nanoparticles, the mechanical property is poor. Although the mechanical property is enhanced by modifying silica aerogels with inorganic and organic compounds, the thermal insulation is usually sacrificed with enhancing of mechanical property. In this study, low surface energy fluoroalkane modified silica aerogels (SAF) are prepared to enhance the compressive mechanical and superhydrophobic properties. In order to balance the mechanical property and the thermal insulation property, SAF with different contents of fluoroalkanes are studied in detail. The compressive strength of SAF with 10 % molar ratio of fluoroalkanes is greatly enhanced while the thermal conductivity keeps the same as unmodified silica aerogel to balance the mechanical and thermal insulation properties. Study on the structure and property of SAF aerogels shows that the mechanical property is enhanced at proper molar content of fluoroalkanes, which probably thickens the necks between silica particles and lower the crosslinking density. The SAF aerogels shows excellent insulation against thermal and cold conditions. Furthermore, the surfaces of SAF aerogels are superhydrophobic by introducing low surface energy fluoroalkanes, and show self-cleaning property, facilitating the application of silica aerogels.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"662 ","pages":"Article 123574"},"PeriodicalIF":3.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143891885","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 on diffusion characteristics and performance of wide-spectrum chalcogenide GRIN with high refractive index","authors":"Song Shi ,&nbsp;Kelun Xia ,&nbsp;Guang Jia ,&nbsp;Miaomiao Wu ,&nbsp;Jierong Gu ,&nbsp;Yuqing Duan ,&nbsp;Heqi Ren ,&nbsp;Chenjie Gu ,&nbsp;Zijun Liu ,&nbsp;Xiang Shen","doi":"10.1016/j.jnoncrysol.2025.123551","DOIUrl":"10.1016/j.jnoncrysol.2025.123551","url":null,"abstract":"<div><div>Gradient refractive index materials (GRINs) provide greater design freedom for aberration correction in wide-spectrum optical systems. In this paper, the GRINs with high refractive index and wide spectrum were successfully prepared by thermal diffusion of double-layer As₅₀Se_50-xTe_x chalcogenide glasses (ChGs). The GRINs have a refractive index spanning from 2.8 to 3.0 and a maximum refractive index difference (<em>Δn</em>) is 0.224. The spectral range with no significant attenuation of transmittance covers 1.5 to 18 µm. The diffusion characteristics of the GRINs were analyzed with a maximum diffusion depth of 400 μm. The values of the collision frequency factor and activation energy at different diffusion temperatures were obtained by utilizing Arrhenius law. The effect of temperature on the diffusion process was dominant over concentration. The axial refractive index distribution of GRINs is computed by converting the relationship between Te concentration and refractive index of the matrix glass. Furthermore, the dispersion characteristics of the GRINs were calculated. The Abbe number is negative, which is quite different from the dispersion characteristics presented by conventional infrared materials.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"661 ","pages":"Article 123551"},"PeriodicalIF":3.2,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887564","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":"Impact of doping different concentrations of TiO2 nanoparticles to PMMA on its structural, thermal and optical properties for optical applications","authors":"Najlaa D. Alharbi ,&nbsp;Manal T.H. Moselhy ,&nbsp;Osiris W. Guirguis","doi":"10.1016/j.jnoncrysol.2025.123558","DOIUrl":"10.1016/j.jnoncrysol.2025.123558","url":null,"abstract":"<div><div>The aim of the present work is to analyze the macrostructure, thermal and optical properties of nanocomposite films prepared from poly(methyl methacrylate) doped with titanium dioxide using solution casting process for optoelectronic applications. The films were examined using Fourier transform infrared (FTIR) spectroscopy, which showed that the addition of TiO_2<img>NPs completely disperses into the PMMA matrix and causes significant changes in the width, intensity and positions of PMMA vibration peaks. Differential thermal analysis (DTA) and thermogravimetric analysis (TGA/DTGA) were used to study the thermal stability of the synthesized nanocomposite films. The melting point, area and shape of the thermal peaks in the DTA results varied, indicating different levels of crystallinity. According to TGA analysis, the nanocomposites decomposed in three stages and were thermally stable. The optical transmittance, absorption and reflectance spectra of the films were measured in the visible region. As the concentration of TiO_2<img>NPs increased to 8 wt %, the results showed that the transmittance decreases and the absorption increases, reaching the maximum opacity (≈27 %). The linear optical parameters showed that the absorption coefficient, extinction coefficient, refractive index, dielectric constants, and optical conductivity increased with the increase of TiO_2<img>NPs incorporated into PMMA matrix. The Urbach energy values ​​increased from 0.220 to 0.247 eV (≈12 %), while a slight decrease in the direct band gap values ​​from 2.910 to 2.899 eV and the indirect band gap from 2.615 to 2.568 eV was found after the incorporation of TiO_2<img>NPs, indicating the presence of a structural defect in the PMMA matrix. Using the Wemple-DiDomenico model, the linear dispersion parameters, linear optical susceptibility and nonlinear optical properties such as third nonlinear optical susceptibility and nonlinear refractive index were calculated and found to be functions of the TiO_2<img>NPs concentration. The results indicate that the prepared nanocomposite films can be considered as a promising candidate for use in optoelectronic applications.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"661 ","pages":"Article 123558"},"PeriodicalIF":3.2,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887563","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":"Synthesis of Fe88Pr10Al2 metallic glass with excellent magnetocaloric effect near the ice point","authors":"Z.B. Li ,&nbsp;J.M. Yuan ,&nbsp;T.G. Zhai ,&nbsp;Q. Wang ,&nbsp;D. Ding ,&nbsp;L. Xia","doi":"10.1016/j.jnoncrysol.2025.123576","DOIUrl":"10.1016/j.jnoncrysol.2025.123576","url":null,"abstract":"<div><div>A ternary Fe₈₈Pr₁₀Al₂ alloy was successfully vitrified into amorphous ribbons in the present work. The ternary alloy shows improved glass formability by Al substitution for B. The large magnetic entropy change peak (−Δ<em>S_m^peak</em>, ∼ 4.69 J/(kg × <em>K</em>) near 272 K) and refrigeration capacity (&gt; 656.6 J/kg) under 5 T were observed in the amorphous Fe₈₈Pr₁₀Al₂ sample. The high −Δ<em>S_m^peak</em> near the ice point of the Fe₈₈Pr₁₀Al₂ amorphous alloy makes it possible to achieve higher −Δ<em>S_m^peak</em> from 272 K to 300 K in the micro-alloyed Fe₈₈Pr₁₀Al₂ metallic glasses, which is essential for constructing high-performance working materials in the domestic refrigerators.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"662 ","pages":"Article 123576"},"PeriodicalIF":3.2,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887686","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}