Ivette Angarita , Ma. Florencia Mazzobre , Horacio R. Corti , Ma. Paula Longinotti
{"title":"Solid-liquid equilibrium and glass transition temperatures of tetraethylene glycol – water mixtures in bulk and confined mesoporous silica","authors":"Ivette Angarita , Ma. Florencia Mazzobre , Horacio R. Corti , Ma. Paula Longinotti","doi":"10.1016/j.jnoncrysol.2025.123442","DOIUrl":"10.1016/j.jnoncrysol.2025.123442","url":null,"abstract":"<div><div>The effect of confinement on the melting and glass transition (<em>T</em><sub>g</sub>) temperatures of tetraethylene glycol (TREG) aqueous solutions was studied in bulk and confined in mesoporous silica over a range of TREG weight fractions (<em>w</em><sub>TREG</sub>) from 0.30 to 0.99.</div><div>For bulk solutions <em>T<sub>g</sub></em> shows a constant value for <em>w</em><sub>TREG</sub> = 0.90–0.99, which was explained considering that the addition of water to the polyol increases the size of the <em>α</em> relaxing entities. For <em>w</em><sub>TREG</sub> = 0.50–0.90, <em>T<sub>g</sub></em> decreases with increasing water content due to the plasticizer effect of water. In contrast, for <em>w</em><sub>TREG</sub> = 0.30–0.40, <em>T<sub>g</sub></em> values increase, reaching a constant value independent of the water content. This is explained by the fact that, in these dilute systems, water can crystallize during cooling the samples before the heating scan. Hence, the glassy phase attains the composition of the maximally freeze concentrated solution.</div><div>The behavior of <em>T<sub>g</sub></em> with composition for samples confined in pores with diameters ranging from 8 to 58 nm is similar to that observed in bulk. However, in pores with 2 nm diameter, <em>T<sub>g</sub></em> exhibits a different behavior. <em>T<sub>g</sub></em> decreases with water content in the composition range <em>w</em><sub>TREG</sub> = 0.90–0.99, indicating that the size of the <em>α</em> relaxing entities should be between 2 and 8 nm. For <em>w</em><sub>TREG</sub> = 0.30–0.40, <em>T<sub>g</sub></em> also attains a constant value indicating that water also crystallizes in 2 nm pore samples when cooling them before the heating scans.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"654 ","pages":"Article 123442"},"PeriodicalIF":3.2,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143421740","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}
Peixin Fu , Lansong Yang , Junlei Shi, Ke Gao, Pingjun Tao, Yuexian Huang, Weixian Zhu, Yuanzheng Yang
{"title":"Preparation and soft magnetic properties of Fe-Si-B-C-N amorphous/nanocrystalline alloys","authors":"Peixin Fu , Lansong Yang , Junlei Shi, Ke Gao, Pingjun Tao, Yuexian Huang, Weixian Zhu, Yuanzheng Yang","doi":"10.1016/j.jnoncrysol.2025.123445","DOIUrl":"10.1016/j.jnoncrysol.2025.123445","url":null,"abstract":"<div><div>We nitrided high-purity thin iron sheets using a plasma nitriding process and then measured the actual nitrogen content of the nitrided sheets using an oxygen-nitrogen analyzer. The amorphous alloys of Fe<sub>82.5-x</sub>Si<sub>2</sub>B<sub>15</sub>C<sub>0.5</sub>N<sub>x</sub> (x=0–0.5 at%) were successfully prepared. The effect of the crystallization behavior of the amorphous alloys on the soft magnetic properties was investigated. The results show that the amorphous forming ability of the alloy can be improved by adding an appropriate amount of nitrogen, and the atoms of the alloy can be ordered by N element. However, excessive nitrogen will reduce the amorphous forming ability of the alloy. Appropriate nitrogen doping reduces coercivity (<em>H<sub>c</sub></em>), and the loss of saturation magnetic flux density (<em>B<sub>s</sub></em>) is minimal due to trace doping. After heat treatment, Fe<sub>82.45</sub>Si<sub>2</sub>B<sub>15</sub>C<sub>0.5</sub>N<sub>0.05</sub> exhibits the lowest <em>H<sub>c</sub></em> of 2.1 A/m following annealing at 380°C, while <em>B<sub>s</sub></em> remains around 1.71 T. This represents excellent overall soft magnetic properties for a composition that has only undergone a simple annealing process and has not been doped with large atoms.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"653 ","pages":"Article 123445"},"PeriodicalIF":3.2,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388159","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":"Study of Ar6+-irradiated Er3+doped PbO-ZnO-P2O5 glass via Judd-Ofelt analysis","authors":"Pabitra Mandal , Subhankar Ghosh","doi":"10.1016/j.jnoncrysol.2025.123435","DOIUrl":"10.1016/j.jnoncrysol.2025.123435","url":null,"abstract":"<div><div>PbO-ZnO-P<sub>2</sub>O<sub>5</sub> glass doped with 0.6, 0.8 and 1.0 % Er<sup>3+</sup> was irradiated with 1.5 MeV Ar<sup>6+</sup> beam of fluence <span><math><mrow><mn>5</mn><mo>×</mo><msup><mrow><mn>10</mn></mrow><mn>15</mn></msup><mo>/</mo><mi>c</mi><msup><mrow><mi>m</mi></mrow><mn>2</mn></msup></mrow></math></span>. Change in optical band gap shows a small reduction of 0.2 % at 0.6 % doping in irradiated sample. Refractive index decreases due to irradiation by 0.001–0.002 which turns out to be lower than other classes of glass. The change of Judd-Ofelt (JO) parameter <span><math><msub><mrow><mstyle><mi>Ω</mi></mstyle></mrow><mn>2</mn></msub></math></span> reveals stabilization of divalent Er<sup>2+</sup> states at 1 % doping and reduced inversion symmetry around Er<sup>3+</sup>at 0.6 % doping due to irradiation. Parameter <span><math><msub><mrow><mstyle><mi>Ω</mi></mstyle></mrow><mn>4</mn></msub></math></span> indicates change in rigidity and viscosity in irradiated sample. Calculated lifetime of some excited states using JO parameters shows enhanced possibility of 1.5 µm LASER emission upon irradiation at 1 % doping. Change in structural, bonding units is captured via Raman data. Our study proposes that JO analysis could be a new route to study the effect of heavy ion irradiation on lanthanide doped glass.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"653 ","pages":"Article 123435"},"PeriodicalIF":3.2,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377126","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":"The structure and physical properties of peraluminous Li2O-Al2O3-SiO2 transparent glass-ceramics free of nucleating agents","authors":"Panfeng Wang, Ziqiong Zhang, Guo Yang, Meng Sun, Xiaomei Li, Zhenlin Wang","doi":"10.1016/j.jnoncrysol.2025.123427","DOIUrl":"10.1016/j.jnoncrysol.2025.123427","url":null,"abstract":"<div><div>Peraluminous Li<sub>2</sub>O-Al<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub> (LAS) glasses with elevated ration of alumina up to 18 Mol% were synthesized by melt-quenching and the corresponding colorless transparent glass-ceramics free of nucleating agents were prepared through two-step heat-treatment. Increasing Al<sub>2</sub>O<sub>3</sub> substitution for CaO, MgO, ZnO elevates the glass transition temperature and crystallization temperature as well as stability of glass due to enhanced Si(Al)-O network. The crystallinity and Al/Si ratio of nanoscale LAS crystallites precipitated from the glass matrix increase with Al<sub>2</sub>O<sub>3</sub> ration. Phase separation of Si rich and Si(Al)-Li rich percolation regions induced by the abundant and mobile Li<sup>+</sup> is proposed to interpret the crystallization mechanism. The visible light transmittance of glass and glass-ceramics decrease with Al<sub>2</sub>O<sub>3</sub> ration and exceed 85 % for Al<sub>2</sub>O<sub>3</sub> below 14 Mol%. Hardness and wear resistance of the glass-ceramics are evidently superior to those of the corresponding precursor glasses and increase with Al<sub>2</sub>O<sub>3</sub> content.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"653 ","pages":"Article 123427"},"PeriodicalIF":3.2,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377127","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":"Phase field simulation of low-temperature, pressure-induced amorphization in Ge2Sb2Te5","authors":"Mahdi Javanbakht , Mohsen Vahedi , Hamed Attariani , Mohammad Mashayekhi","doi":"10.1016/j.jnoncrysol.2025.123441","DOIUrl":"10.1016/j.jnoncrysol.2025.123441","url":null,"abstract":"<div><div>The phase change materials (PCMs) have garnered significant attention due to their unique physical properties for future electronic and optoelectronic devices. While the focus has primarily been on phase transition due to temperature stimuli, pressure-induced phase transitions have been largely ignored. Here, we developed a phase-field model to investigate high-pressure amorphization of crystalline Germanium-antimony-tellurium (c-GST) as the model material. While the pressure independent bulk modulus leads to temperature independent amorphization pressure, significantly below the experimental/atomistic results, the proposed model based on Murnaghan's equation of state (EOS), which includes elastic, transformational and thermal strains, can replicate the temperature dependency of the amorphization pressure. Additionally, the difference between onset and completion amorphization pressure for defective c-GST was successfully captured, in agreement with experimental/atomistic results. Simulations on defective GST show the importance of void/vacancy clusters in lowering the amorphization pressure and accelerating the phase transition.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"653 ","pages":"Article 123441"},"PeriodicalIF":3.2,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143376963","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}
Junhu Liu , Fengyu Kong , Chuanhui Cheng , Shiqiang Yue , Wenli Song , Haipeng Wang , Anding Wang
{"title":"Attractive magnetic properties in as-cast bulk metallic glasses","authors":"Junhu Liu , Fengyu Kong , Chuanhui Cheng , Shiqiang Yue , Wenli Song , Haipeng Wang , Anding Wang","doi":"10.1016/j.jnoncrysol.2025.123437","DOIUrl":"10.1016/j.jnoncrysol.2025.123437","url":null,"abstract":"<div><div>We proposed an in-situ stress release strategy for combing magnetic and mechanic properties in the bulk metallic glass (BMG), via balancing the solidification and microstructure relaxation processes. In this proof-of-concept study, the effectiveness is validated in typical Fe-based, FeCo-based, CoFe-based and FeNi-based BMG rings. It was found that the as-cast BMGs with superior strength and hardness exhibit excellent soft-magnetic properties without annealing, including a super-low coercivity of 1.4–2.9 A/m, high effective permeability of 3.3–13.7 k and low loss (<em>P</em><sub>50, 200</sub>) of 0.04–0.06 W/kg, which are about 0.8–1.6 %, 14–59 times and 9–12.8 % that of the electrical iron rings, respectively. The magnetic properties are stable at service temperatures of 25–150 °C. The excellent soft-magnetic properties are ascribed to the low anisotropy of the uniform structure and weak pinning effect of the domain. These results pave a new route for evading the annealing induced brittleness dilemma and combining the mechanic-magnetic properties for the advanced BMGs.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"653 ","pages":"Article 123437"},"PeriodicalIF":3.2,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143349285","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}
Bohua Ma , Keran Li , Miao Lv , Pan Gong , Si Lan , Zhen Peng
{"title":"Effect of rejuvenation on mechanical behavior and microstructure of Ti-based metallic glass","authors":"Bohua Ma , Keran Li , Miao Lv , Pan Gong , Si Lan , Zhen Peng","doi":"10.1016/j.jnoncrysol.2025.123426","DOIUrl":"10.1016/j.jnoncrysol.2025.123426","url":null,"abstract":"<div><div>Deep cryogenic cycling treatment (DCT) in conjunction with elastic static loading (ESL) has been shown to rejuvenate metallic glasses by restoring their structure to a high-energy state, thus enhancing their plasticity at room temperature. Although the effects of various rejuvenation methods on metallic glasses have been well-documented, the combined influence of different treatments remains underexplored. A key question in this field is whether the application of elastostatic compression to bulk metallic glasses (BMGs) of varying compositions leads to a transition from relaxation to rejuvenation, an issue that continues to spark debate. Additionally, the fundamental mechanisms underlying deep cryogenic cycling treatment in metallic glasses represent a significant area of recent research. This study seeks to clarify the differences between DCT and ESL, both of which are applied within the elastic limit, and to evaluate the potential for superimposing their individual effects. We focus on a lightweight Ti-Zr-Be-Cu BMG as our experimental material. The BMG samples were subjected to DCT, ESL, and a combination of both processes. We then characterized and compared the mechanical behavior and microstructural alterations induced by each treatment method. Our analysis aims to elucidate the rejuvenation mechanisms associated with these approaches.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"653 ","pages":"Article 123426"},"PeriodicalIF":3.2,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143223697","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":"Uncovering the microstructural origins of shear transformation events in metallic glasses: Insights from combining knowledge and data","authors":"Tao Long , Zhilin Long , Bo Pang","doi":"10.1016/j.jnoncrysol.2025.123419","DOIUrl":"10.1016/j.jnoncrysol.2025.123419","url":null,"abstract":"<div><div>In this work, an innovative dimensionless static structural parameter called the “Composite flexibility factor (CFF)” was proposed based on a knowledge-driven research paradigm, aiming to establish a relationship between the static structure of metallic glasses (MGs) and shear transformation (ST) events. The simulation results demonstrated that a significant correlation between the CFF parameter and the ST events in the metal systems, metal–metalloid systems and metal-nonmetal systems MGs, as well as under different quenching conditions. An interpretable ST events prediction model based on a deep neural network and the Shapley Additive exPlanations method was constructed using the atomic structure features extracted from the knowledge-driven approach. This work not only enhances the correlation between the static structure of MGs and ST events but also provides new research pathway and perspective for revealing the microscopic mechanisms of plastic deformation in MGs.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"653 ","pages":"Article 123419"},"PeriodicalIF":3.2,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143223698","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":"Silicoaluminate magnetic polychromatic glasses: Thermal, optic and magnetic properties","authors":"J.G. Oliveira Silva , K.F. Magalhães , T. Dumelow , J.M. Soares","doi":"10.1016/j.jnoncrysol.2025.123417","DOIUrl":"10.1016/j.jnoncrysol.2025.123417","url":null,"abstract":"<div><div>The magnetic state associated with new brown and green aluminosilicate glass systems has been identified. The samples were prepared by the conventional melting method, followed by rapid cooling, using a mineral residue. X-ray diffraction (XRD) results, corroborated by images obtained through scanning electron microscopy (SEM), confirmed the formation of the amorphous phase. Differential scanning calorimetry (DSC) analysis showed high glass transition (<span><math><mrow><mn>800</mn><mo>−</mo><mn>860</mn><mo>°</mo><mi>C</mi></mrow></math></span>) and crystallization (<span><math><mrow><mn>1160</mn><mo>−</mo><mn>1180</mn><mo>°</mo><mi>C</mi></mrow></math></span>) temperatures, contributing to good thermal stability of the glasses. UV–Vis spectrophotometry results showed the presence of absorption and transmittance bands, with good absorbance in the ultraviolet region and transmittance in the visible light region with wavelengths between 350–800 nm. The band gap values were observed to vary from <span><math><mrow><mn>1</mn><mo>.</mo><mn>06</mn><mspace></mspace><mtext>eV</mtext></mrow></math></span> to <span><math><mrow><mn>1</mn><mo>.</mo><mn>82</mn><mspace></mspace><mtext>eV</mtext></mrow></math></span>, indicating a correlation with the oxidation states of iron. Magnetic property studies were conducted through hysteresis curves obtained at 300K, using a vibrating sample magnetometer (VSM), where ferromagnetic and antiferromagnetic contributions resulting from an asperomagnetic regime of the glasses were observed. Electron paramagnetic resonance (EPR) spectroscopy results identified the spectra of Fe<sup>3+</sup> incorporated into the aluminosilicate glass. The diverse characteristics of these glasses enable their applications ranging from flat panels for civil construction, optical fibers, magnetic devices, to ultraviolet radiation filters.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"653 ","pages":"Article 123417"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143145155","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}
Yongzhen Wang , Yanhui Li , Xuesen Kou , Fengxiao Hou , Yuli Cui
{"title":"Microscopic structural characteristics of Na and Ca in CaONa2O-Al2O3-SiO2-SO3 system slag: Molecular dynamics simulation and experimental study","authors":"Yongzhen Wang , Yanhui Li , Xuesen Kou , Fengxiao Hou , Yuli Cui","doi":"10.1016/j.jnoncrysol.2025.123425","DOIUrl":"10.1016/j.jnoncrysol.2025.123425","url":null,"abstract":"<div><div>To enhance the resource utilization of industrial byproducts, such as coal ash, and to mitigate slagging and fouling on boiler heating surfaces, this study investigates the structural characteristics of CaO<img>Na<sub>2</sub>O-Al<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub>-SO<sub>3</sub> slag, a significant component of high-alkali coal ash. Using molecular dynamics (MD) simulations and combining the actual deposited ash at 660MW utility boiler, we analyzed the diffusion behaviors, viscosity, and surface tension of the slag to understand its interactions during combustion. The results show that Na atom exhibits the highest mobility and promote the dissociation of the slag network, while Ca atom moves more slowly and contribute to ash deposition by forming viscous surface materials. Temperature sensitivity analysis reveals that Na and Si are most responsive to thermal changes, whereas Ca and S are less affected. Radial distribution analysis indicates strong binding of Ca with S and O, leading to calcium sulfate formation, while Na more readily binds with Si and Al, forming sodium aluminosilicate. These findings offer valuable insights for optimizing combustion processes to minimize slagging and fouling, while enhancing the reuse of coal ash in ecological industrial development.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"652 ","pages":"Article 123425"},"PeriodicalIF":3.2,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143130855","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}