Journal of Non-crystalline Solids最新文献

{"title":"Investigation of the structural, thermal, optical, and crystallization properties of novel CuO-modified Li2Pb1-xCuxP2O7 glass system","authors":"F. Faqyr ,&nbsp;A. El Boukili ,&nbsp;L. Boudad ,&nbsp;A. Zourif ,&nbsp;E.H. El Herradi ,&nbsp;T. Guedira ,&nbsp;M. Taibi","doi":"10.1016/j.jnoncrysol.2025.123673","DOIUrl":"10.1016/j.jnoncrysol.2025.123673","url":null,"abstract":"<div><div>The study investigates the structural, thermal, optical, and crystallization behavior of the novel Li₂Pb_1-xCu_xP₂O₇ (0 mol % ≤ <em>x</em> ≤ 1 mol %) glass system, where CuO progressively replaces PbO. The samples were synthesized through the conventional melt-quenching method. X-ray diffraction (XRD) analysis confirmed the amorphous nature of glasses for compositions up to <em>x</em> = 0.8 mol %, with crystallization occurring at higher CuO contents, leading to copper-based crystalline phases. Density and molar volume measurements reveal a decrease in both parameters as CuO content increases, indicating looser packing within the glass network. Differential Scanning Calorimetry (DSC) studies showed that substituting PbO with CuO decreases the glass transition temperature (T_g) and crystallization onset temperature (T_x), suggesting structural changes and increased flexibility in the glass structure. The obtained results reveal that the stability does not consistently follow a single pattern with CuO doping. Notably, the LiPb_0.6Cu_0,4P₂O₇ glass exhibits the highest stability. Fourier Transform Infrared (FTIR) spectroscopy further highlighted progressive structural changes in the phosphate network, with shifts in absorption bands attributed to Cu²⁺ substitution affecting bond angles and network connectivity. The UV–Vis absorption spectra and Tauc plot analysis revealed the interplay between the CuO content and the optical properties in the Li₂Pb_1-xCu_xP₂O₇ glass system. The optical absorption spectra of the prepared glassy samples depict absorption bands attributed to the t_2g→e_g transition of the Cu²⁺ions. Post-crystallization analysis using XRD, FTIR, and UV–Vis spectroscopy revealed a transition from amorphous to crystalline phases. The incorporation of Cu²⁺ ions was assessed to play a crucial role in restructuring the phosphate network, significantly impacting the optical properties of these materials.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123673"},"PeriodicalIF":3.2,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144262991","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 La2O3 on structure and chemical strengthening properties of Li2O–Al2O3–SiO2 glass: experiment and simulation","authors":"Yingliang Tian ,&nbsp;Hongshi Zhao ,&nbsp;Dayi Yang ,&nbsp;Xuejie Tian ,&nbsp;Feng He ,&nbsp;Peihao Li ,&nbsp;Zhiyong Zhao","doi":"10.1016/j.jnoncrysol.2025.123675","DOIUrl":"10.1016/j.jnoncrysol.2025.123675","url":null,"abstract":"<div><div>This study systematically investigates the regulatory effect of La₂O₃ on the structure, mechanical and chemical strengthening properties of lithium aluminosilicate (LAS) glass through experiment and molecular dynamics (MD) simulation. MD simulations demonstrate that La₂O₃ incorporation enhances network densification through the high field strength of La³⁺ (Z/r²=2.82). The main coordination number (CN) of La atoms is 6, which dynamically changes to 5∼8 with the increase of content, and the bond length of La-O is shortened from 2.24 Å to 2.21 Å and then increased to 2.31 Å. When adding 1.0 mol % La₂O₃, the Vickers hardness and bending strength of glass are as high as 7.15 GPa and 205 MPa, respectively. However, the excessive La₂O₃ (&gt;1.0 mol %) destroys the connectivity of [SiO₄] network and reduces the proportion of Q⁴. With the increase of La₂O₃ content, the chemical strengthening results show that the surface compressive stress decreases linearly. In contrast, the depth of the stress layer (DOL) decreased first and then increased, attributed to the “densification-depolymerization” competition mechanism of La₂O₃ in LAS glass. Results provide the theoretical guidance for development of LAS glass containing rare earth oxides that have highly effective chemical strengthening properties.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123675"},"PeriodicalIF":3.2,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144262977","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 pre-deformation on structure and dynamic relaxation behavior of a Zr-based bulk metallic glass","authors":"Aasma Tabassum ,&nbsp;Wei Xiong ,&nbsp;Baoan Sun ,&nbsp;Ying Liu ,&nbsp;Jing Tao Wang","doi":"10.1016/j.jnoncrysol.2025.123672","DOIUrl":"10.1016/j.jnoncrysol.2025.123672","url":null,"abstract":"<div><div>This study investigates the effects of cold rolling deformation on the structure, free volume, and dynamic relaxation behaviors of a Zr-based bulk metallic glass (BMG). Subsequently, the relaxation enthalpy, free volume, and relaxation behavior of shear bands were extracted using the mixing principle. The results indicate that the relaxation enthalpy and free volume reach 5.09±0.67 kJ/mol and 0.92±0.12 % for the 80 % thickness reduction samples, indicating significant rejuvenation introduced by pre-existing shear bands. The HV hardness of the shear band is just 355±16, about 31.7 % lower than undeformed glassy regions, demonstrating dramatic structural softening in shear regions. The shear band’s relaxation enthalpy and free volume are ∼7.877 kJ/mol and ∼1.42 %. The β relaxation intensity in 80 % deformed samples increases ∼44 % compared to as-cast samples. Moreover, for the shear band, this relaxation intensity almost improves by 80 % respectively, when compared to the as-cast samples.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123672"},"PeriodicalIF":3.2,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144240134","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":"Photo-induced surface metal-semiconductor transition driven by silver diffusion into amorphous chalcogenide","authors":"Yoshifumi Sakaguchi ,&nbsp;Yuji Baba ,&nbsp;Yoshihiro Okamoto","doi":"10.1016/j.jnoncrysol.2025.123646","DOIUrl":"10.1016/j.jnoncrysol.2025.123646","url":null,"abstract":"<div><div>The bandgap light illumination of a Ag/ amorphous chalcogenide bilayer film causes Ag diffusion into the chalcogenide layer. Investigating how the electronic states and the bond configurations change is important to gain an understanding of Ag photo-diffusion on a microscopic scale. In this study, we perform the optical reflectivity, X-ray photoelectron spectroscopy, and extended X-ray absorption fine-structure spectroscopy measurements on Ag/ amorphous Ge₂₀S₈₀ films and examine the changes in measurements with bandgap illumination. The results showed that metallic reflectivity, which was caused by Ag 5s delocalized electrons, was lost and the electronic density of states at the Fermi energy disappeared upon light illumination, indicating a <em>surface metal-semiconductor transition</em>. Changes in the chemical bonds were clearly observed. The Ag ions were captured by the S atoms, but not by the Ge atoms. With increasing light-exposure time, both the S-S and Ge-S bonds break, and Ag-S bonds are formed. A model of the Ag photo-diffusion at the microscopic scale is proposed based on these experimental results.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123646"},"PeriodicalIF":3.2,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144240135","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":"Mixed alkali effect on chemical durability and mechanical properties of a borosilicate glass series","authors":"Pengcheng You ,&nbsp;Yang Shen ,&nbsp;Rui Yang ,&nbsp;Hong Jiang ,&nbsp;Yanfei Zhang ,&nbsp;Qiuju Zheng ,&nbsp;Yuanzheng Yue","doi":"10.1016/j.jnoncrysol.2025.123669","DOIUrl":"10.1016/j.jnoncrysol.2025.123669","url":null,"abstract":"<div><div>Understanding the mixed alkali effect (MAE) on the chemical durability of glass is crucial for optimizing the composition of nuclear waste immobilization glasses. In this work, we investigated the impact of the substitution of K₂O for Na₂O on structure, chemical durability, and some physical properties of a borosilicate glass series. We found that the fraction of four-coordinated boron (<em>N</em>₄) exhibited a drastic decrease when the molar ratio of potassium ions surpassed a certain threshold. Beyond this threshold, the <em>N</em>₄ fraction remained constant. The structure analyses showed that the additional potassium ions were inclined to break the ring structure, leading to the formation of chain structure. Furthermore, the leaching of the different cations took place through synergistic mechanisms involving {Na&amp;B}, {K&amp;B} and {Al&amp;Ca} pairs. Both the coefficient of thermal expansion (<em>α</em>) and the hardness (<em>H</em>) manifested a pronounced mixed alkali effect. This work provides insights into the correlation between the mixed alkali effect and the physical and chemical properties.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123669"},"PeriodicalIF":3.2,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229820","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":"First principles calculations of electronic structure and optical properties for radiation-induced oxygen related defects in silica glass","authors":"Cai Donglin,&nbsp;Dong Shangli,&nbsp;Liu Hai,&nbsp;Zhang Xudong","doi":"10.1016/j.jnoncrysol.2025.123665","DOIUrl":"10.1016/j.jnoncrysol.2025.123665","url":null,"abstract":"<div><div>Prolonged exposure of silica glass to radiation environments leads to the degradation of optical properties, significantly compromising the performance of optical systems. This study systematically investigates oxygen-related radiation-induced defects through first-principles calculations. Two primary defect types are characterized: non-bridging oxygen defects comprising a radical oxygen atom and a triple-coordinated silicon atom formed by Si-O bond rupture under irradiation, and oxygen vacancy defects featuring two adjacent triple-coordinated silicon atoms created through oxygen displacement by high-energy particles, which may subsequently transform into E' color centers. The electronic structure and optical properties of both the pristine 90-atom silica glass model and the defect models that may arise during irradiation have been systematically investigated. Calculations show an improved band gap value of 9.4 eV for pristine silica glass. Several new occupied and unoccupied defect states are found near the valence band maximum and in the band gap from the defect models. As the distance between the defect-related atoms increases, the valence band maximum moves away from the highest occupied state energy level, while the lowest unoccupied state shifts to lower energies, leading to a red-shift in the absorption spectrum. The calculated absorption peak positions are found to closely match the published experimental measurements.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123665"},"PeriodicalIF":3.2,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204516","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":"Environmentally safe high density lanthanum doped glasses for radiation shielding windows","authors":"Anchal Pathania ,&nbsp;Neetu Verma ,&nbsp;Rohit Mehra ,&nbsp;P. Nandi ,&nbsp;Gopi Sharma ,&nbsp;Sandeep Kaur ,&nbsp;Richa Mishra ,&nbsp;B. Sanyal","doi":"10.1016/j.jnoncrysol.2025.123649","DOIUrl":"10.1016/j.jnoncrysol.2025.123649","url":null,"abstract":"<div><div>In this present work, a series of lead-free xLa₂O₃–30xBi₂O₃-(100-x)B₂O₃, where <em>x</em> = 0, 3, 6, and 9 mol % glass systems have been studied for Radiation Shielding Windows (RSWs) applications. The prepared glass shows high densities from 5.05 to 5.46 g/cc which is an important aspect for RSW. The Vicker's hardness and UV–Vis spectroscopy performed before and after irradiation shows that 6 mol % of lanthanum is most stable composition for radiation shielding after exposure to gamma radiation of 1 kGy. The radiation-induced absorption coefficients at different visible wavelengths are determined using transmission data after the irradiation dose. The glass with 6 mol % doping of La₂O₃ has the least radiation-induced absorption coefficient among all prepared glass samples. The structural modifications have been confirmed with the help of Raman spectroscopy. The obtained results suggest that La₂O₃ doping enhances the radiation stability of glass samples. Therefore, the developed lanthanum-doped bismuth-borate glass could find its application as lead-free RSW glass as an alternative to high lead-containing glass.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123649"},"PeriodicalIF":3.2,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144211974","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":"Universal correlation between boson peak and quasi-localized modes in solids","authors":"G. Ding ,&nbsp;J. Duan ,&nbsp;S.L. Cai ,&nbsp;L.H. Dai ,&nbsp;M.Q. Jiang","doi":"10.1016/j.jnoncrysol.2025.123668","DOIUrl":"10.1016/j.jnoncrysol.2025.123668","url":null,"abstract":"<div><div>The low-temperature specific heat capacity <em>C</em>_ph of ideal crystals can be effectively described by the classical Debye <em>T</em>³ law. However, in amorphous solids and defective crystals, the reduced phonon heat capacity, <em>C</em>_ph/<em>T</em>³, consistently deviates from the Debye model, exhibiting the well-known non-Debye excess anomaly, namely the boson peak (BP). In this work, we systematically study the low-temperature heat capacity <em>C</em>_p across a wide range of solids, finding that <em>C</em>_p can be accurately described by the soft potential model. The <em>C</em>_ph/<em>T</em>³ of these solids begins to deviate from the Debye prediction near the characteristic temperature <em>T</em>_C and displays a pronounced excess hump at <em>T</em>_BP, which is the characteristic temperature of BP. We find that the reduced BP in both glasses and crystals exhibits a universal behavior, which can be described by an empirical function Δ*. Furthermore, a linear correlation between <em>T</em>_C and <em>T</em>_BP is observed among solids regardless of their topology, which reveals a universal connection between the BP and quasilocalized modes in solids. The result provides experimental support for the soft potential model, which may underpin the explanation of low-temperature anomalies and the formation of the BP in solids.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123668"},"PeriodicalIF":3.2,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144194907","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":"Improvement of the formation ability and soft magnetic properties of Fe-Co-B-Si amorphous alloys with ultrahigh saturation magnetization of 2.0 T by P and C additions","authors":"A.I. Bazlov ,&nbsp;D.A. Milkova ,&nbsp;E.N. Zanaeva ,&nbsp;E.V. Ubyivovk ,&nbsp;I.V. Strochko ,&nbsp;A. Inoue","doi":"10.1016/j.jnoncrysol.2025.123648","DOIUrl":"10.1016/j.jnoncrysol.2025.123648","url":null,"abstract":"<div><div>The improvement effect of replacing B with C or P on the formation ability, thermal stability and magnetic properties for melt-spun (Fe_0.8Co_0.2)₈₅B_14-xSi₁M_x and (Fe_0.8Co_0.2)₈₄B_15-xSi₁M_x amorphous alloy ribbons was examined because the base amorphous alloy exhibits ultrahigh saturation magnetization (M_S) reaching 2.0 T The minor alloying by C or P causes an enhancement of its formation ability, a decrease in the onset temperature of the first-stage crystallization (T_x1) due to the precipitation of bcc FeCo phase and a slight increase in the second-stage crystallization temperature (T_x2) due to the decomposition of the residual amorphous phase, resulting in an extension of the temperature interval between T_x1 and T_x2. The annealing of their amorphous alloys causes a reduction of coercive force (H_C) and an increase of effective permeability (µ_e) at 1 kHz, though the M_S decreases slightly. The excellent soft magnetic properties of 1.98 T for M_S, 8.0 A/m for H_C and 5800 for µ_e were attained for (Fe_0.8Co_0.2)₈₅B₁₃Si₁P₁ amorphous ribbon with a thickness of 20 µm annealed for 500 s at 570 K. Their soft magnetic properties are promising for future application of the present amorphous alloys as a new high M_S soft magnetic material for electric motors.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123648"},"PeriodicalIF":3.2,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204515","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":"Enabling extrapolation of Young’s modulus of CaO-Al2O3-SiO2 ternary glasses by topology-informed machine learning","authors":"Kai Yang ,&nbsp;Yu Song ,&nbsp;Yuhai Li ,&nbsp;Morten M. Smedskjaer ,&nbsp;Mathieu Bauchy ,&nbsp;Fabian Rosner","doi":"10.1016/j.jnoncrysol.2025.123610","DOIUrl":"10.1016/j.jnoncrysol.2025.123610","url":null,"abstract":"<div><div>The application of machine learning (ML) in material discovery, particularly in the design of novel materials like glasses, has shown considerable promise. However, the efficacy of data-driven ML approaches is often hindered by the limited volume and representativeness of material datasets. While these approaches demonstrate notable success in interpolating data, they tend to perform inadequately in extrapolation tasks, which are crucial in the context of material discovery. In this study, we address this challenge by incorporating topological knowledge, derived from the atomic structures of glasses, to inform ML models with physics-based insights. To showcase this approach, we focus on predicting Young's modulus of CaO-Al₂O₃-SiO₂ glasses. By leveraging the topological information, i.e., the fractions of bond-stretching and bond-bending constraints, we transform a non-linear composition-property mapping to a higher-linearity topology-property mapping to improve the extrapolation abilities of ML models. Our results demonstrate that the topology-informed ML approach maintains comparable prediction accuracy within the training domain while significantly improving performance in extrapolating the Young’s modulus of glasses beyond the training domain. Therefore, our topology-informed approach can offer a more efficient and expedited pathway towards the discovery of new glass materials in unexplored domains.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"666 ","pages":"Article 123610"},"PeriodicalIF":3.2,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144189378","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}