Pub Date : 2026-04-15Epub Date: 2026-02-09DOI: 10.1016/j.jnoncrysol.2026.123974
Bingdong Qin , Yu Zheng
This study presents the development of a series of TiZrNbHfNix amorphous high-entropy alloys (HEAs) films that demonstrate exceptional corrosion and wear resistance. An increase in nickel content results in greater lattice distortion, which is reflected by a shift of X-ray diffraction (XRD) peaks towards higher angles. Notably, the transition in hydrophilicity observed in the samples is attributed to variations in surface roughness. The sample with x = 2.5 exhibited optimal corrosion resistance, characterized by an open circuit potential (Ecorr) of 0.49 V and a corrosion current density (Icorr) of 3.7 × 10-8 A/cm². This enhanced performance can be ascribed to the formation of nickel oxides that effectively fill the pores generated by passive film dissolution, thereby improving the integrity of the film. In wear tests, the film with x = 2.0 displayed superior wear resistance, evidenced by a friction coefficient of 0.2 and a wear coefficient of 4.5 × 10-11 Pa. This improvement is associated with a reduced shear transformation zone resulting from its high-entropy state, which diminishes the likelihood of initiating wear cracks. Overall, the design strategy employed for these amorphous high-entropy alloys represents a promising approach for developing high-performance protective coatings.
{"title":"Mechanisms of wear and corrosion resistance in amorphous TiZrNb-based high-entropy alloys film","authors":"Bingdong Qin , Yu Zheng","doi":"10.1016/j.jnoncrysol.2026.123974","DOIUrl":"10.1016/j.jnoncrysol.2026.123974","url":null,"abstract":"<div><div>This study presents the development of a series of TiZrNbHfNi<em>x</em> amorphous high-entropy alloys (HEAs) films that demonstrate exceptional corrosion and wear resistance. An increase in nickel content results in greater lattice distortion, which is reflected by a shift of X-ray diffraction (XRD) peaks towards higher angles. Notably, the transition in hydrophilicity observed in the samples is attributed to variations in surface roughness. The sample with <em>x</em> = 2.5 exhibited optimal corrosion resistance, characterized by an open circuit potential (<em>Ecorr</em>) of 0.49 V and a corrosion current density (<em>Icorr</em>) of 3.7 × 10<sup>-8</sup> A/cm². This enhanced performance can be ascribed to the formation of nickel oxides that effectively fill the pores generated by passive film dissolution, thereby improving the integrity of the film. In wear tests, the film with <em>x</em> = 2.0 displayed superior wear resistance, evidenced by a friction coefficient of 0.2 and a wear coefficient of 4.5 × 10<sup>-11</sup> Pa. This improvement is associated with a reduced shear transformation zone resulting from its high-entropy state, which diminishes the likelihood of initiating wear cracks. Overall, the design strategy employed for these amorphous high-entropy alloys represents a promising approach for developing high-performance protective coatings.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"679 ","pages":"Article 123974"},"PeriodicalIF":3.5,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191992","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}
Pub Date : 2026-04-15Epub Date: 2026-02-09DOI: 10.1016/j.jnoncrysol.2026.124002
Y.F. He, M.Z. Li
Understanding the relationship between atomic structure and dynamics is a central issue in the study of glass-forming liquids, yet establishing a direct and physically transparent connection remains challenging. Machine learning (ML) approaches have been widely applied to explore the structure-dynamics relationship in glass-forming liquids. However, the physical mechanism of atomic dynamics predicted by ML models remains unclear. In this work, we investigate the correlation between static structures and atomic dynamics in Cu50Zr50 supercooled liquids by using molecular dynamics simulations and ML techniques. By analyzing the correlations between various structural indicators and atomic dynamics, as well as the predictive performance of different ML models, we find that although some structural indicators and ML models exhibit high predictive performance, they mainly capture information related to atomic species rather than intrinsic dynamical features, due to the strong influence of atomic species on atomic dynamics in metallic glass-forming liquids. We further identify the average packing capability as a key structural indicator governing the structure-dynamics correlation. In addition, both the sensitivity of ML models to collinearity and the intrinsic collinearity within structural descriptors may reduce the prediction accuracy or the model interpretability. These results provide new insights into how structure-dynamics correlations are recognized by ML methods.
{"title":"Uncovering what machine learning learns from structure-dynamics correlations in Cu50Zr50 supercooled liquids","authors":"Y.F. He, M.Z. Li","doi":"10.1016/j.jnoncrysol.2026.124002","DOIUrl":"10.1016/j.jnoncrysol.2026.124002","url":null,"abstract":"<div><div>Understanding the relationship between atomic structure and dynamics is a central issue in the study of glass-forming liquids, yet establishing a direct and physically transparent connection remains challenging. Machine learning (ML) approaches have been widely applied to explore the structure-dynamics relationship in glass-forming liquids. However, the physical mechanism of atomic dynamics predicted by ML models remains unclear. In this work, we investigate the correlation between static structures and atomic dynamics in Cu<sub>50</sub>Zr<sub>50</sub> supercooled liquids by using molecular dynamics simulations and ML techniques. By analyzing the correlations between various structural indicators and atomic dynamics, as well as the predictive performance of different ML models, we find that although some structural indicators and ML models exhibit high predictive performance, they mainly capture information related to atomic species rather than intrinsic dynamical features, due to the strong influence of atomic species on atomic dynamics in metallic glass-forming liquids. We further identify the average packing capability as a key structural indicator governing the structure-dynamics correlation. In addition, both the sensitivity of ML models to collinearity and the intrinsic collinearity within structural descriptors may reduce the prediction accuracy or the model interpretability. These results provide new insights into how structure-dynamics correlations are recognized by ML methods.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"679 ","pages":"Article 124002"},"PeriodicalIF":3.5,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191427","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}
Pub Date : 2026-04-15Epub Date: 2026-02-10DOI: 10.1016/j.jnoncrysol.2026.124014
M. Kassem , A. Sammoury , P.A. Chater , M. Bokova , Y. Dabaki , H. Kassem , T. Hamieh , J. Toufaily , E. Bychkov
The Ga₂S₃–Sb₂S₃ quasi-binary system has been investigated for its potential to yield stable chalcogenide glasses with tailored thermal and structural properties. Using melt-quenching techniques, a series of (Ga₂S₃)ₓ(Sb₂S₃)₁₋ₓ compositions (0.0 ≤ x ≤ 0.5) were synthesized, and their glass-forming domain was mapped. The latter extends up to approximately x ≤ 0.40, as confirmed by X-ray diffraction and DSC analyses, with the x = 0.4 composition exhibiting a glass-ceramic character. Density measurements, combined with calculations of molar volume and packing density, revealed a continuous structural densification as Ga₂S₃ content increased. Differential scanning calorimetry showed an increase in glass transition temperature (Tg), with the best thermal stability observed for x = 0.2, as assessed by the Hruby criterion. Electrical conductivity measurements demonstrated thermally activated behaviour following the Arrhenius law, with maximum activation energy also centred at x = 0.2. Raman spectroscopy and DFT modelling were used to decipher the structural contributions of Sb–S and Ga–S bonding. The emergence of vibrational modes characteristic of Ga-based structural units, especially beyond x > 0.2, suggests a structural reorganization from Sb-centred pyramidal units to Ga-centred tetrahedral. This was corroborated by high-energy X-ray diffraction, which showed significant changes in intermediate-range order with increasing Ga content, particularly in the first sharp diffraction peak and partial coordination environments.
{"title":"Ga-Sb-S glasses: Synthesis, properties and structural insights from Raman spectroscopy, high-energy XRD and DFT modelling","authors":"M. Kassem , A. Sammoury , P.A. Chater , M. Bokova , Y. Dabaki , H. Kassem , T. Hamieh , J. Toufaily , E. Bychkov","doi":"10.1016/j.jnoncrysol.2026.124014","DOIUrl":"10.1016/j.jnoncrysol.2026.124014","url":null,"abstract":"<div><div>The Ga₂S₃–Sb₂S₃ quasi-binary system has been investigated for its potential to yield stable chalcogenide glasses with tailored thermal and structural properties. Using melt-quenching techniques, a series of (Ga₂S₃)<em>ₓ</em>(Sb₂S₃)₁₋<em>ₓ</em> compositions (0.0 ≤ <em>x</em> ≤ 0.5) were synthesized, and their glass-forming domain was mapped. The latter extends up to approximately <em>x</em> ≤ 0.40, as confirmed by X-ray diffraction and DSC analyses, with the <em>x</em> = 0.4 composition exhibiting a glass-ceramic character. Density measurements, combined with calculations of molar volume and packing density, revealed a continuous structural densification as Ga₂S₃ content increased. Differential scanning calorimetry showed an increase in glass transition temperature (<em>T<sub>g</sub></em>), with the best thermal stability observed for <em>x</em> = 0.2, as assessed by the Hruby criterion. Electrical conductivity measurements demonstrated thermally activated behaviour following the Arrhenius law, with maximum activation energy also centred at <em>x</em> = 0.2. Raman spectroscopy and DFT modelling were used to decipher the structural contributions of Sb–S and Ga–S bonding. The emergence of vibrational modes characteristic of Ga-based structural units, especially beyond <em>x</em> > 0.2, suggests a structural reorganization from Sb-centred pyramidal units to Ga-centred tetrahedral. This was corroborated by high-energy X-ray diffraction, which showed significant changes in intermediate-range order with increasing Ga content, particularly in the first sharp diffraction peak and partial coordination environments.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"679 ","pages":"Article 124014"},"PeriodicalIF":3.5,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191428","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}
Pub Date : 2026-04-15Epub Date: 2026-02-09DOI: 10.1016/j.jnoncrysol.2026.124013
Tongfei Chen , Luyao Li , Jing Wang , Yongqing Liu , Xiaokun Tian , Honglai Wang , Jianjun Han
Photovoltaic (PV) glass is a critical material enabling clean energy development and contributing to carbon neutrality goals. However, manufacturing thin PV glass is challenging, requiring precise control of process parameters such as temperature and roller speed. This work establishes a thermo-mechanical coupling model based on the calendaring process of PV glass. The model characterizes heat transfer and stress evolution during calendaring to assess residual stress levels and final glass quality. The findings aim to optimize roller speed and speed difference parameters to produce varied thickness glass. The results show that the thinner glass allows for faster roller speeds. The optimized roller speed for 6 mm glass ranges from 50 to 80 m/h as the exit temperature of glass is within 700 and 800°C. As thickness decreases, the range of calendaring roller speed is expanded, 60-100 m/h for 5 mm glass, 80-130 m/h for 4 mm glass, 120-240 m/h for 3 mm glass, 180-300 m/h for 2 mm glass, and 240-480 m/h for 1 mm glass. Besides, the optimal roll speed difference of 2 mm glass is 14 m/h, while it is 4 m/h for 4 mm glass and 3 m/h for 5 mm glass.
{"title":"Parameter optimization of the calendaring process for varied-thickness photovoltaic glass with thermo-mechanical coupling model","authors":"Tongfei Chen , Luyao Li , Jing Wang , Yongqing Liu , Xiaokun Tian , Honglai Wang , Jianjun Han","doi":"10.1016/j.jnoncrysol.2026.124013","DOIUrl":"10.1016/j.jnoncrysol.2026.124013","url":null,"abstract":"<div><div>Photovoltaic (PV) glass is a critical material enabling clean energy development and contributing to carbon neutrality goals. However, manufacturing thin PV glass is challenging, requiring precise control of process parameters such as temperature and roller speed. This work establishes a thermo-mechanical coupling model based on the calendaring process of PV glass. The model characterizes heat transfer and stress evolution during calendaring to assess residual stress levels and final glass quality. The findings aim to optimize roller speed and speed difference parameters to produce varied thickness glass. The results show that the thinner glass allows for faster roller speeds. The optimized roller speed for 6 mm glass ranges from 50 to 80 m/h as the exit temperature of glass is within 700 and 800°C. As thickness decreases, the range of calendaring roller speed is expanded, 60-100 m/h for 5 mm glass, 80-130 m/h for 4 mm glass, 120-240 m/h for 3 mm glass, 180-300 m/h for 2 mm glass, and 240-480 m/h for 1 mm glass. Besides, the optimal roll speed difference of 2 mm glass is 14 m/h, while it is 4 m/h for 4 mm glass and 3 m/h for 5 mm glass.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"679 ","pages":"Article 124013"},"PeriodicalIF":3.5,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191991","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}
Enhancing the wettability of solder on glass surfaces was critical for establishing reliable joints between glass and dissimilar material. Inspired by the electrowetting-on-dielectric (EWOD) technique, this paper investigated the influence of DC voltage on the wetting behavior of Sn42Bi58 solder on soda-lime float glass. Under an applied voltage, the molten solder transitioned from non-wetting to wetting. With increasing bonding voltage, the final steady-state contact angle decreased. SEM results confirmed effective bonding between the Sn42Bi58 and the glass. EDS revealed Na⁺ and Ca²⁺ depletion at the interface (depletion layer). As bonding voltage and bonding time were increased, the width of the depletion layer increased. Furthermore, EDS analysis of the interface indicated diffusion of Sn and Bi elements from the solder into the glass substrate. Tensile testing revealed consistent fracture within the Sn42Bi58, and a maximum tensile strength of 5.78 MPa was obtained at the bonding parameters of 1000 V for 120 s.
{"title":"Influences of direct electric field on the wettability and interfacial microstructure in Sn-42Bi/Glass","authors":"Xiaoyue Mi, Lifang Hu, Jiapeng Li, Jinyu Tian, Bo Zhang, Baichuan Ren","doi":"10.1016/j.jnoncrysol.2026.124004","DOIUrl":"10.1016/j.jnoncrysol.2026.124004","url":null,"abstract":"<div><div>Enhancing the wettability of solder on glass surfaces was critical for establishing reliable joints between glass and dissimilar material. Inspired by the electrowetting-on-dielectric (EWOD) technique, this paper investigated the influence of DC voltage on the wetting behavior of Sn42Bi58 solder on soda-lime float glass. Under an applied voltage, the molten solder transitioned from non-wetting to wetting. With increasing bonding voltage, the final steady-state contact angle decreased. SEM results confirmed effective bonding between the Sn42Bi58 and the glass. EDS revealed Na⁺ and Ca²⁺ depletion at the interface (depletion layer). As bonding voltage and bonding time were increased, the width of the depletion layer increased. Furthermore, EDS analysis of the interface indicated diffusion of Sn and Bi elements from the solder into the glass substrate. Tensile testing revealed consistent fracture within the Sn42Bi58, and a maximum tensile strength of 5.78 MPa was obtained at the bonding parameters of 1000 V for 120 s.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"679 ","pages":"Article 124004"},"PeriodicalIF":3.5,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116395","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}
Pub Date : 2026-04-15Epub Date: 2026-02-05DOI: 10.1016/j.jnoncrysol.2026.124005
Long Yan , Yan Sun , Xin Wang , Chuncheng Zhang , Fangling Jiang , Ziwei Li , Ruilin Zheng , Shubin Chen , Lili Hu
Er3+-doped oxide glasses face severe concentration quenching at high doping levels, limiting their emission efficiency and laser performance. Here, a germanate glass system achieves ultrahigh Er3+ doping concentration (11.91 × 1020 cm−3) without significant quenching while enhancing thermal stability (ΔT = 242 °C). Under 980 nm excitation, the 2.7 μm emission exhibits nearly linear intensity growth (R2 = 97.4%) and achieves a high gain coefficient of 5.75 cm−1. Moreover, the up-conversion emission shows a tunable color from yellow-green to orange-red, achieving a maximum absolute temperature sensitivity of 3.352 × 10−3 K−1 at 558 K. The local structure evolution of the Er3+ and glass network was systematically investigated using Raman spectroscopy, Pair distribution function (PDF), and X-ray absorption fine structure (XAFS). This local structural engineering strategy not only provides a viable route for developing high-performance Er3+-doped germanate glasses but also broadens prospects for applications in high-power 2.7 μm fiber lasers and multifunctional optical sensors.
{"title":"Insight into the role of Er3+ local structure in thermal stability enhancement and concentration quenching suppression for germanate glasses","authors":"Long Yan , Yan Sun , Xin Wang , Chuncheng Zhang , Fangling Jiang , Ziwei Li , Ruilin Zheng , Shubin Chen , Lili Hu","doi":"10.1016/j.jnoncrysol.2026.124005","DOIUrl":"10.1016/j.jnoncrysol.2026.124005","url":null,"abstract":"<div><div>Er<sup>3+</sup>-doped oxide glasses face severe concentration quenching at high doping levels, limiting their emission efficiency and laser performance. Here, a germanate glass system achieves ultrahigh Er<sup>3+</sup> doping concentration (11.91 × 10<sup>20</sup> cm<sup>−3</sup>) without significant quenching while enhancing thermal stability (ΔT = 242 °C). Under 980 nm excitation, the 2.7 μm emission exhibits nearly linear intensity growth (R<sup>2</sup> = 97.4%) and achieves a high gain coefficient of 5.75 cm<sup>−1</sup>. Moreover, the up-conversion emission shows a tunable color from yellow-green to orange-red, achieving a maximum absolute temperature sensitivity of 3.352 × 10<sup>−3</sup> K<sup>−1</sup> at 558 K. The local structure evolution of the Er<sup>3+</sup> and glass network was systematically investigated using Raman spectroscopy, Pair distribution function (PDF), and X-ray absorption fine structure (XAFS). This local structural engineering strategy not only provides a viable route for developing high-performance Er<sup>3+</sup>-doped germanate glasses but also broadens prospects for applications in high-power 2.7 μm fiber lasers and multifunctional optical sensors.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"679 ","pages":"Article 124005"},"PeriodicalIF":3.5,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116397","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}
Pub Date : 2026-04-15Epub Date: 2026-02-13DOI: 10.1016/j.jnoncrysol.2026.124020
Guo-dong Liu, Jian-fu Jin, Qing Liang
Kohlrausch-Williams-Watts (KWW) function is employed to describe the strain-time relationship of materials under constant load and the nonexponentiality is assumed to originate from heterogeneity and the strain of distinct relaxation components is assumed to be additive. The viscoelasticity model based on relaxation (VR) on this basis is used to describe the stress relaxation behaviour of crosslinked polystyrene (CPS). The interconversion of creep behavior description to stress relaxation behavior is realized by calculating the stress change to maintain the overall strain at a constant value. The distribution of relaxation times for the respective components is described using the distribution function of relaxation time (DFRT) underlying the KWW function. The typical standard linear solid (SLS) model, fractional derivative standard linear solid (FSLS) model, phenomenological KWW function (PhKWW), and the VR model using KWW relaxation function (VRKWW) are used to fit the relaxation modulus data of CPS. The fitting quality of VRKWW is superior to that of the SLS model, FSLS model, and the PhKWW. Furthermore, the optimal fitting values of the model parameters are more physically reasonable.
{"title":"Application of Kohlrausch-Williams-Watts (KWW) function in modelling stress relaxation of crosslinked polystyrene based on the additivity of strain","authors":"Guo-dong Liu, Jian-fu Jin, Qing Liang","doi":"10.1016/j.jnoncrysol.2026.124020","DOIUrl":"10.1016/j.jnoncrysol.2026.124020","url":null,"abstract":"<div><div>Kohlrausch-Williams-Watts (KWW) function is employed to describe the strain-time relationship of materials under constant load and the nonexponentiality is assumed to originate from heterogeneity and the strain of distinct relaxation components is assumed to be additive. The viscoelasticity model based on relaxation (VR) on this basis is used to describe the stress relaxation behaviour of crosslinked polystyrene (CPS). The interconversion of creep behavior description to stress relaxation behavior is realized by calculating the stress change to maintain the overall strain at a constant value. The distribution of relaxation times for the respective components is described using the distribution function of relaxation time (DFRT) underlying the KWW function. The typical standard linear solid (SLS) model, fractional derivative standard linear solid (FSLS) model, phenomenological KWW function (Ph<sub>KWW</sub>), and the VR model using KWW relaxation function (VR<sub>KWW</sub>) are used to fit the relaxation modulus data of CPS. The fitting quality of VR<sub>KWW</sub> is superior to that of the SLS model, FSLS model, and the Ph<sub>KWW</sub>. Furthermore, the optimal fitting values of the model parameters are more physically reasonable.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"679 ","pages":"Article 124020"},"PeriodicalIF":3.5,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191424","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}
Pub Date : 2026-04-15Epub Date: 2026-02-09DOI: 10.1016/j.jnoncrysol.2026.123994
Murat AYGÜN , Zeynep AYGÜN
There is an increasing demand for high-level radiation-protective materials in the fields of materials research and radiation physics. One such interaction between radiation and matter is that between neutrons. It is imperative to possess detailed information regarding the neutron attenuation properties of materials in order to select the most suitable materials for protection purposes. In this regard, we examine the radiation shielding properties for the thermal, epithermal and fast neutrons of Tellurium-based glasses, which consist of 60TeO2–20Bi2O3–10B2O3–10ZnO, 10WO3–10MoO3–80TeO2, 20WO3–60TeO2–20PbO, 61.6TeO2–38.4ZnO-4NiO, 55TeO2–25B2O3–20Bi2O3, 15B2O3–60TeO2–25PbO, 50TeO2–15Na2O-15ZnO-17PbO-3Eu2O3, 60TeO2–20ZnO-4BaF2–14BaCO3–2Tm2O3, 12Bi2O3–8BaO-12ZnO-0.5CeO2–17.5SiO2–10B2O3–40TeO2, 33.5TeO2–30B2O3–20BaO-10ZnO-5La2O3–1.5Dy2O3, 38.5TeO2–30P2O5–20ZnO-5Sb2O3–5Li2O-1.5Dy2O3, 60TeO2–12.5Nb2O5–12.5ZnO-10LiF-5Pr2O3, 90TeO2–10TiO2, 82.5TeO2–10TiO2–7.5WO3, 20P2O5–30TeO2–30ZnO-20CdO, 20P2O5–30TeO2–20ZnO-30CdO. The transmission ratio, total macroscopic cross-sections and mean free path are computed by using PHITS 3.35. The reaction rates, half value layer and tenth value layer are also determined. The results of this examination provide a useful knowledge about the shielding abilities of Tellurium-based glasses exposed by neutron (thermal, epithermal, and fast) beams. TeBiZn glass provides better shielding for fast neutrons, while TeTi glass has a lower shielding value. It can be stated that the shielding ability of TePCd glass with ∑t= 16.8967 for thermal neutrons and TePbEu glass with ∑t = 7.24064 for epithermal neutrons has been found to be the highest, while TeTi glass has been found to possess the lowest shielding capacity for both thermal (∑t= 0.30013) and epithermal (∑t = 0.23808) neutrons.
{"title":"Interaction characteristics of thermal, epithermal and fast neutrons with Te-based glasses by PHITS","authors":"Murat AYGÜN , Zeynep AYGÜN","doi":"10.1016/j.jnoncrysol.2026.123994","DOIUrl":"10.1016/j.jnoncrysol.2026.123994","url":null,"abstract":"<div><div>There is an increasing demand for high-level radiation-protective materials in the fields of materials research and radiation physics. One such interaction between radiation and matter is that between neutrons. It is imperative to possess detailed information regarding the neutron attenuation properties of materials in order to select the most suitable materials for protection purposes. In this regard, we examine the radiation shielding properties for the thermal, epithermal and fast neutrons of Tellurium-based glasses, which consist of 60TeO<sub>2</sub>–20Bi<sub>2</sub>O<sub>3</sub>–10B<sub>2</sub>O<sub>3</sub>–10ZnO, 10WO<sub>3</sub>–10MoO<sub>3</sub>–80TeO<sub>2</sub>, 20WO<sub>3</sub>–60TeO<sub>2</sub>–20PbO, 61.6TeO<sub>2</sub>–38.4ZnO-4NiO, 55TeO<sub>2</sub>–25B<sub>2</sub>O<sub>3</sub>–20Bi<sub>2</sub>O<sub>3</sub>, 15B<sub>2</sub>O<sub>3</sub>–60TeO<sub>2</sub>–25PbO, 50TeO<sub>2</sub>–15Na<sub>2</sub>O-15ZnO-17PbO-3Eu<sub>2</sub>O<sub>3</sub>, 60TeO<sub>2</sub>–20ZnO-4BaF<sub>2</sub>–14BaCO<sub>3</sub>–2Tm<sub>2</sub>O<sub>3</sub>, 12Bi<sub>2</sub>O<sub>3</sub>–8BaO-12ZnO-0.5CeO<sub>2</sub>–17.5SiO<sub>2</sub>–10B<sub>2</sub>O<sub>3</sub>–40TeO<sub>2</sub>, 33.5TeO<sub>2</sub>–30B<sub>2</sub>O<sub>3</sub>–20BaO-10ZnO-5La<sub>2</sub>O<sub>3</sub>–1.5Dy<sub>2</sub>O<sub>3</sub>, 38.5TeO<sub>2</sub>–30P<sub>2</sub>O<sub>5</sub>–20ZnO-5Sb<sub>2</sub>O<sub>3</sub>–5Li<sub>2</sub>O-1.5Dy<sub>2</sub>O<sub>3</sub>, 60TeO<sub>2</sub>–12.5Nb<sub>2</sub>O<sub>5</sub>–12.5ZnO-10LiF-5Pr<sub>2</sub>O<sub>3</sub>, 90TeO<sub>2</sub>–10TiO<sub>2</sub>, 82.5TeO<sub>2</sub>–10TiO<sub>2</sub>–7.5WO<sub>3</sub>, 20P<sub>2</sub>O<sub>5</sub>–30TeO<sub>2</sub>–30ZnO-20CdO, 20P<sub>2</sub>O<sub>5</sub>–30TeO<sub>2</sub>–20ZnO-30CdO. The transmission ratio, total macroscopic cross-sections and mean free path are computed by using PHITS 3.35. The reaction rates, half value layer and tenth value layer are also determined. The results of this examination provide a useful knowledge about the shielding abilities of Tellurium-based glasses exposed by neutron (thermal, epithermal, and fast) beams. TeBiZn glass provides better shielding for fast neutrons, while TeTi glass has a lower shielding value. It can be stated that the shielding ability of TePCd glass with ∑<em>t</em> <strong>=</strong> 16.8967 for thermal neutrons and TePbEu glass with ∑<em>t</em> = 7.24064 for epithermal neutrons has been found to be the highest, while TeTi glass has been found to possess the lowest shielding capacity for both thermal (∑<em>t</em> <strong>=</strong> 0.30013) and epithermal (∑<em>t</em> = 0.23808) neutrons.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"679 ","pages":"Article 123994"},"PeriodicalIF":3.5,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191430","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}
Pub Date : 2026-04-15Epub Date: 2026-02-13DOI: 10.1016/j.jnoncrysol.2026.124021
Yuping Liu , Wen Yue , Zhiqiao Wang , Dezhong Meng
Understanding the response to impact loading in quartz glass is crucial for the precision machining and engineering structure designs of brittle materials. Low-velocity impact experiments were conducted to investigate the impact behavior and kinetic energy dissipation of quartz glass. Impact velocities ranging from 100 to 200 mm/s and impact masses from 367 to 830 g were applied to generate multiple kinetic energy levels. The effects of kinetic energy composition and punch shape on impact force, energy absorption, and damage morphology were systematically analyzed. Impact velocity controls impact force, while impact mass governs contact time. The energy absorption rate exhibits non-monotonic variations due to the gradual shift in the energy distribution mechanism. Compared with the conical punch, the triangular pyramid punch produces higher equivalent peak contact stress and induces earlier brittle damage. The conical punch maintains higher effective contact stiffness, leading to a slightly higher impact peak force under most kinetic energy levels. According to the results of finite element modeling, the triangular pyramidal punch produces a highly localized and non-axisymmetric stress field which is dominated by tensile stresses, whereas the conical punch generates a nearly axisymmetric stress field dominated by compressive stresses, leading to relatively confined damage. By integrating experimental observations and finite element analysis, a unified damage mechanism is proposed. These findings demonstrate that the impact behavior and energy dissipation of quartz glass are jointly controlled by kinetic energy composition and punch shape, providing an experimental method into damage evolution under low-velocity impact.
{"title":"Low-velocity impact behaviors and kinetic energy dissipations of quartz glass","authors":"Yuping Liu , Wen Yue , Zhiqiao Wang , Dezhong Meng","doi":"10.1016/j.jnoncrysol.2026.124021","DOIUrl":"10.1016/j.jnoncrysol.2026.124021","url":null,"abstract":"<div><div>Understanding the response to impact loading in quartz glass is crucial for the precision machining and engineering structure designs of brittle materials. Low-velocity impact experiments were conducted to investigate the impact behavior and kinetic energy dissipation of quartz glass. Impact velocities ranging from 100 to 200 mm/s and impact masses from 367 to 830 g were applied to generate multiple kinetic energy levels. The effects of kinetic energy composition and punch shape on impact force, energy absorption, and damage morphology were systematically analyzed. Impact velocity controls impact force, while impact mass governs contact time. The energy absorption rate exhibits non-monotonic variations due to the gradual shift in the energy distribution mechanism. Compared with the conical punch, the triangular pyramid punch produces higher equivalent peak contact stress and induces earlier brittle damage. The conical punch maintains higher effective contact stiffness, leading to a slightly higher impact peak force under most kinetic energy levels. According to the results of finite element modeling, the triangular pyramidal punch produces a highly localized and non-axisymmetric stress field which is dominated by tensile stresses, whereas the conical punch generates a nearly axisymmetric stress field dominated by compressive stresses, leading to relatively confined damage. By integrating experimental observations and finite element analysis, a unified damage mechanism is proposed. These findings demonstrate that the impact behavior and energy dissipation of quartz glass are jointly controlled by kinetic energy composition and punch shape, providing an experimental method into damage evolution under low-velocity impact.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"679 ","pages":"Article 124021"},"PeriodicalIF":3.5,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191426","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}
Pub Date : 2026-04-15Epub Date: 2026-02-14DOI: 10.1016/j.jnoncrysol.2026.124023
Nicolás Amigo
Molecular dynamics simulations were used to investigate the mechanical and structural characteristics of seven metallic glasses with diverse compositions. Normalized stress–strain curves revealed a clear strength ordering, from Cu-Ag, Cu-Zr, Ni-Co-Al, Cu-Zr-Al, V-Al, Zr-Nb, to Zr-Pt, based on mechanical properties such as yield stress, maximum stress, flow stress, resilience, and toughness. Structural analyses showed that free volume decreases monotonically, while solid-like polyhedra increase only in the strongest alloys. Medium-range order characterization demonstrated that stronger glasses contain fewer networks of solid-like polyhedra but with larger and more interconnected structures. Spearman’s correlation identified free volume and the maximum number of network nodes as the most reliable predictors of strength. These results highlight that reduced free volume and the emergence of large, highly connected polyhedral backbones govern the mechanical performance of metallic glasses based on different atomic species.
{"title":"Structure–property relationships governing metallic glass strength from atomistic simulations","authors":"Nicolás Amigo","doi":"10.1016/j.jnoncrysol.2026.124023","DOIUrl":"10.1016/j.jnoncrysol.2026.124023","url":null,"abstract":"<div><div>Molecular dynamics simulations were used to investigate the mechanical and structural characteristics of seven metallic glasses with diverse compositions. Normalized stress–strain curves revealed a clear strength ordering, from Cu-Ag, Cu-Zr, Ni-Co-Al, Cu-Zr-Al, V-Al, Zr-Nb, to Zr-Pt, based on mechanical properties such as yield stress, maximum stress, flow stress, resilience, and toughness. Structural analyses showed that free volume decreases monotonically, while solid-like polyhedra increase only in the strongest alloys. Medium-range order characterization demonstrated that stronger glasses contain fewer networks of solid-like polyhedra but with larger and more interconnected structures. Spearman’s correlation identified free volume and the maximum number of network nodes as the most reliable predictors of strength. These results highlight that reduced free volume and the emergence of large, highly connected polyhedral backbones govern the mechanical performance of metallic glasses based on different atomic species.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"679 ","pages":"Article 124023"},"PeriodicalIF":3.5,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191429","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}
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