Journal of Non-crystalline Solids最新文献_第10页

Influence of electric pulse processing parameters on microstructure and properties of Zr-based bulk metallic glass 电脉冲工艺参数对zr基大块金属玻璃微观结构和性能的影响

IF 3.5 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2026-01-15 Epub Date: 2025-11-10 DOI: 10.1016/j.jnoncrysol.2025.123840

Kewei Dong , Yang Yang , Ji Wang

In-situ formation of nanoscale crystalline particles within bulk metallic glasses (BMGs) has been demonstrated to enhance plastic deformation, thereby improving room-temperature ductility. Among various crystallization methods, electro-crystallization offers distinct advantages by circumventing issues such as embrittlement, making it an effective approach for fabricating amorphous composite materials. In this study, we employed pulsed electric current processing to controllably generate nanoscale crystalline phases in a Zr53Cu18.7Ni12Al16.3 (Vit106) BMG system. Through systematic variation of current parameters, we investigated the influence of different electric pulse treatments on crystallization behavior and mechanical properties. Our results reveal that controlled current application induced temperature rises (ΔT) ranging from 1069.31 to 1464.10 K, leading to the formation of spherical crystalline clusters. This enabled successful fabrication of amorphous-nanocrystalline composites containing 5–30 % nanocrystalline fractions, with compressive plasticity reaching up to 17.2 %. Through comprehensive characterization using XRD, DSC, TEM, and SAED, we elucidated the thermodynamic behavior during electric pulse heating and the corresponding crystallization kinetics. Key findings demonstrate that electric pulse heating can achieve ultra-rapid heating rates sufficient to surpass the crystallization temperature of BMGs. Moreover, the crystallization degree and crystal size can be precisely tuned by adjusting the pulse duration, establishing this method as an efficient and controllable processing route for manufacturing amorphous-based composite materials.

大块金属玻璃（bmg）中纳米级晶体颗粒的原位形成已被证明可以增强塑性变形，从而提高室温延展性。在各种结晶方法中，电结晶因避免了脆性等问题而具有明显的优势，是制备非晶复合材料的有效方法。在本研究中，我们采用脉冲电流处理技术在Zr53Cu18.7Ni12Al16.3 (Vit106) BMG体系中可控地生成纳米级晶相。通过系统地改变电流参数，研究了不同电脉冲处理对结晶行为和力学性能的影响。结果表明，在可控电流的作用下，温度升高（ΔT）范围为1069.31 ~ 1464.10 K，导致球形晶簇的形成。这使得成功制造了含有5 - 30%纳米晶组分的非晶纳米晶复合材料，其压缩塑性达到17.2%。通过XRD、DSC、TEM和SAED的综合表征，阐明了电脉冲加热过程中的热力学行为和相应的结晶动力学。关键研究结果表明，电脉冲加热可以实现足以超过bmg结晶温度的超快速加热速率。此外，通过调整脉冲持续时间可以精确地调整结晶程度和晶体尺寸，使该方法成为制造非晶基复合材料的一种高效、可控的加工路线。

{"title":"Influence of electric pulse processing parameters on microstructure and properties of Zr-based bulk metallic glass","authors":"Kewei Dong , Yang Yang , Ji Wang","doi":"10.1016/j.jnoncrysol.2025.123840","DOIUrl":"10.1016/j.jnoncrysol.2025.123840","url":null,"abstract":"<div><div>In-situ formation of nanoscale crystalline particles within bulk metallic glasses (BMGs) has been demonstrated to enhance plastic deformation, thereby improving room-temperature ductility. Among various crystallization methods, electro-crystallization offers distinct advantages by circumventing issues such as embrittlement, making it an effective approach for fabricating amorphous composite materials. In this study, we employed pulsed electric current processing to controllably generate nanoscale crystalline phases in a Zr53Cu18.7Ni12Al16.3 (Vit106) BMG system. Through systematic variation of current parameters, we investigated the influence of different electric pulse treatments on crystallization behavior and mechanical properties. Our results reveal that controlled current application induced temperature rises (ΔT) ranging from 1069.31 to 1464.10 K, leading to the formation of spherical crystalline clusters. This enabled successful fabrication of amorphous-nanocrystalline composites containing 5–30 % nanocrystalline fractions, with compressive plasticity reaching up to 17.2 %. Through comprehensive characterization using XRD, DSC, TEM, and SAED, we elucidated the thermodynamic behavior during electric pulse heating and the corresponding crystallization kinetics. Key findings demonstrate that electric pulse heating can achieve ultra-rapid heating rates sufficient to surpass the crystallization temperature of BMGs. Moreover, the crystallization degree and crystal size can be precisely tuned by adjusting the pulse duration, establishing this method as an efficient and controllable processing route for manufacturing amorphous-based composite materials.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"672 ","pages":"Article 123840"},"PeriodicalIF":3.5,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518665","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}

引用次数: 0

Modeling the glass-liquid transition in thin films: A theoretical approach using the modified Allen-Cahn model 模拟薄膜中的玻璃-液体转变：使用改进的Allen-Cahn模型的理论方法

IF 3.5 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2026-01-15 Epub Date: 2025-11-10 DOI: 10.1016/j.jnoncrysol.2025.123800

Koksal Karakus , Valeriy V. Ginzburg , Keith Promislow , Leela Rakesh

When thin glassy films are heated above their glass transition temperature (T_g), the mechanism by which they transform to the liquid state (“rejuvenation”) is governed by the structure of the initial glassy state, determined by the film’s preparation conditions. While the conventionally prepared glassy films rejuvenate through a spatially homogeneous process, the ultrastable glass films, typically produced by physical vapor deposition, transform differently: a mobility front originates at the free surface and moves inward at a roughly uniform speed. This speed depends on the material properties and the annealing temperature, and it scales approximately inversely with the α-relaxation time. In this work, we develop a continuum framework based on the free energy minimization, leading to a modified Allen-Cahn equation that captures both homogeneous and front-mediated relaxation dynamics. This equation is designed to represent the contrast in mobility and the associated thermodynamic driving forces, thereby linking molecular-scale relaxation behavior to mesoscopic front propagation phenomena. Although experimental evidence supports the existence of mobility fronts during the glass-to-liquid transition, the development of a predictive theoretical framework remains an open challenge. Key unresolved questions include how deposition conditions govern front velocity, the extent to which this phenomenon is universal across diverse glass-forming systems, and whether a unified model can be formulated to describe rejuvenation dynamics in a broad class of non-crystalline solid materials.

当玻璃薄膜被加热到高于其玻璃化转变温度（Tg）时，它们转变为液态（“回春”）的机制由初始玻璃态的结构决定，由薄膜的制备条件决定。传统制备的玻璃膜通过空间均匀的过程恢复活力，而超稳定的玻璃膜，通常由物理气相沉积生产，转变不同：迁移前沿起源于自由表面，并以大致均匀的速度向内移动。该速率与材料性质和退火温度有关，与α-弛豫时间成反比。在这项工作中，我们开发了一个基于自由能最小化的连续体框架，从而得到了一个改进的Allen-Cahn方程，该方程可以捕获齐次和前端介导的弛豫动力学。该方程旨在表示迁移率和相关热力学驱动力的对比，从而将分子尺度的松弛行为与介观锋面传播现象联系起来。尽管实验证据支持在玻璃到液体的转变过程中迁移前沿的存在，但预测理论框架的发展仍然是一个开放的挑战。关键的未解决的问题包括沉积条件如何控制锋面速度，这种现象在不同玻璃形成系统中的普遍程度，以及是否可以制定一个统一的模型来描述广泛类别的非晶固体材料的再生动力学。

{"title":"Modeling the glass-liquid transition in thin films: A theoretical approach using the modified Allen-Cahn model","authors":"Koksal Karakus , Valeriy V. Ginzburg , Keith Promislow , Leela Rakesh","doi":"10.1016/j.jnoncrysol.2025.123800","DOIUrl":"10.1016/j.jnoncrysol.2025.123800","url":null,"abstract":"<div><div>When thin glassy films are heated above their glass transition temperature (T<sub>g</sub>), the mechanism by which they transform to the liquid state (“rejuvenation”) is governed by the structure of the initial glassy state, determined by the film’s preparation conditions. While the conventionally prepared glassy films rejuvenate through a spatially homogeneous process, the ultrastable glass films, typically produced by physical vapor deposition, transform differently: a mobility front originates at the free surface and moves inward at a roughly uniform speed. This speed depends on the material properties and the annealing temperature, and it scales approximately inversely with the <em>α</em>-relaxation time. In this work, we develop a continuum framework based on the free energy minimization, leading to a modified Allen-Cahn equation that captures both homogeneous and front-mediated relaxation dynamics. This equation is designed to represent the contrast in mobility and the associated thermodynamic driving forces, thereby linking molecular-scale relaxation behavior to mesoscopic front propagation phenomena. Although experimental evidence supports the existence of mobility fronts during the glass-to-liquid transition, the development of a predictive theoretical framework remains an open challenge. Key unresolved questions include how deposition conditions govern front velocity, the extent to which this phenomenon is universal across diverse glass-forming systems, and whether a unified model can be formulated to describe rejuvenation dynamics in a broad class of non-crystalline solid materials.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"672 ","pages":"Article 123800"},"PeriodicalIF":3.5,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518663","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}

引用次数: 0

Enhanced phase change memory properties of Ge2Sb2Te5 film through the incorporation of GeSe2 GeSe2的加入增强了Ge2Sb2Te5薄膜的相变记忆性能

IF 3.5 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2026-01-15 Epub Date: 2025-11-07 DOI: 10.1016/j.jnoncrysol.2025.123852

Shahin Parveen , Nidhi Bhatt , Abdul Whab , R. Venkatesh , Ramesh B Kamble , Jehova Jire L. Hmar , Pumlianmunga

GeSe₂-doped Ge₂Sb₂Te₅ (GST) films have been studied as a next-generation phase change memory (PCM) material. Amorphous GST film crystallizes into rock salt (FCC) phase at ∼168 °C, followed by the hexagonal (HEX) phase at ∼280 °C. The doped films also exhibit the two-stage crystallisation behaviour of GST at higher temperatures, ∼235 °C and 330 °C (at. % of GeSe₂=25) for FCC and HEX structures, respectively, without phase segregation, indicating improved PCM properties. After doping, the activation energy for crystallisation increased to 4.37 eV (GST = 2.79 eV), resulting in improved data retention over 10 years. The optical band gap increases by around 35% in both amorphous and crystalline films, with higher resistances in the crystalline phases. Reducing the threshold current (I_th) from 1.45 (GST) to 0.3 mA with the addition of GeSe₂ will minimise the power usage for the PCM RESET operation.

研究了gese2掺杂Ge2Sb2Te5 （GST）薄膜作为下一代相变记忆（PCM）材料。无定形GST薄膜在~ 168℃结晶为岩盐（FCC）相，随后在~ 280℃结晶为六方（HEX）相。掺杂薄膜在较高温度下（~ 235°C和330°C）也表现出GST的两阶段结晶行为。%的GeSe2=25)分别用于FCC和HEX结构，没有相偏析，表明PCM性能得到改善。掺杂后，结晶活化能增加到4.37 eV (GST = 2.79 eV)， 10年的数据保留率提高。在非晶膜和晶体膜中，光学带隙增加了约35%，在晶体相中电阻更高。将阈值电流（Ith）从1.45 （GST）降低到0.3 mA，并添加GeSe2，将最大限度地减少PCM RESET操作的功耗。

引用次数: 0

Biocompatibility and dissolution experiments with molecular dynamics structural characterization of melt-derived Mg-substituted silicate bioactive potential glasses 熔融衍生mg -取代硅酸盐生物活性势玻璃的生物相容性和溶解实验及分子动力学结构表征

IF 3.5 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2026-01-15 Epub Date: 2025-11-10 DOI: 10.1016/j.jnoncrysol.2025.123855

Amirhossein Moghanian

In this study, Mg-doped bioactive glasses (MBGs) with the composition of 60SiO₂-(40-x)CaO-xMgO (x = 0, 1, 3, 5, 8, 10, 15, 20 mol%), which were labeled as Mg0 to Mg20 were simulated by Large-scale atomic/molecular massively parallel simulator (LAMMPS) software in order to investigate short- and long-range order structure. Results revealed that the average size of the Si-O-Si angle was calculated at 148° for Mg0, which was increased to 151° in the Mg20. Additionally, with the increase in network connectivity (NC) from 2.66 to 2.75 for Mg0 and Mg20, respectively, and the higher structural integrity suggests lower solubility as the MgO content increased in the MBGs composition. Meanwhile, the clustering data showed that the Mg5 had the least inclination of Ca and Mg atoms to be clustered with R = 1.040, and the Mg20 showed the most clustering with R = 0.493. Moreover, 3–(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay revealed that Mg5 had a statistically significant increase in proliferation of MC3T3-E1 cells (**p˂0.01) among other synthesized MBGs and with increasing the Mg content from 5 to 20 mol%, optical density decreased due to cytotoxicity of Mg in higher concentrations (***p˂0.001). Taken together, results exhibited how compositional changes influenced the structure and dissolution behavior of ternary MBGs, and Mg5 had optimized behavior both in simulated results and biological properties. Consequently, Mg5 could be suggested as a promising candidate in biomedical and tissue engineering (TE) applications due to its lower ion clustering, high solubility, as well as the highest cell proliferation.

本研究以60SiO2-(40-x)CaO-xMgO （x = 0、1、3、5、8、10、15、20 mol%）的掺镁生物活性玻璃（MBGs）为研究对象，通过大规模原子/分子大规模并行模拟器（LAMMPS）软件对其进行了模拟，并标记为Mg0至m20。结果表明，Mg0的Si-O-Si角平均尺寸为148°，而m20的Si-O-Si角平均尺寸为151°。此外，随着Mg0和m20的网络连通性（NC）分别从2.66增加到2.75，随着MgO含量的增加，MBGs组成中的结构完整性越高，溶解度越低。同时，聚类数据显示，Mg5的Ca和Mg原子的聚类倾斜度最小，R = 1.040， m20的聚类倾斜度最大，R = 0.493。此外，3-（4,5-二甲基噻唑-2-基）-2,5-二苯基溴化四唑（MTT）实验显示，Mg5对MC3T3-E1细胞增殖的促进作用具有统计学意义（**p小于0.01），并且随着Mg含量从5 mol%增加到20 mol%，由于高浓度Mg的细胞毒性，光密度降低（***p小于0.001）。综上所述，研究结果显示了组分变化如何影响三元MBGs的结构和溶解行为，并且Mg5在模拟结果和生物学性能方面都具有优化的行为。因此，Mg5具有较低的离子聚集性、高溶解度和较高的细胞增殖能力，有望在生物医学和组织工程（TE）中应用。

{"title":"Biocompatibility and dissolution experiments with molecular dynamics structural characterization of melt-derived Mg-substituted silicate bioactive potential glasses","authors":"Amirhossein Moghanian","doi":"10.1016/j.jnoncrysol.2025.123855","DOIUrl":"10.1016/j.jnoncrysol.2025.123855","url":null,"abstract":"<div><div>In this study, Mg-doped bioactive glasses (MBGs) with the composition of 60SiO<sub>2</sub>-(40-x)CaO-xMgO (<em>x</em> = 0, 1, 3, 5, 8, 10, 15, 20 mol%), which were labeled as Mg0 to Mg20 were simulated by Large-scale atomic/molecular massively parallel simulator (LAMMPS) software in order to investigate short- and long-range order structure. Results revealed that the average size of the Si-O-Si angle was calculated at 148° for Mg0, which was increased to 151° in the Mg20. Additionally, with the increase in network connectivity (NC) from 2.66 to 2.75 for Mg0 and Mg20, respectively, and the higher structural integrity suggests lower solubility as the MgO content increased in the MBGs composition. Meanwhile, the clustering data showed that the Mg5 had the least inclination of Ca and Mg atoms to be clustered with <em>R</em> = 1.040, and the Mg20 showed the most clustering with <em>R</em> = 0.493. Moreover, 3–(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay revealed that Mg5 had a statistically significant increase in proliferation of MC3T3-E1 cells (**p˂0.01) among other synthesized MBGs and with increasing the Mg content from 5 to 20 mol%, optical density decreased due to cytotoxicity of Mg in higher concentrations (***p˂0.001). Taken together, results exhibited how compositional changes influenced the structure and dissolution behavior of ternary MBGs, and Mg5 had optimized behavior both in simulated results and biological properties. Consequently, Mg5 could be suggested as a promising candidate in biomedical and tissue engineering (TE) applications due to its lower ion clustering, high solubility, as well as the highest cell proliferation.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"672 ","pages":"Article 123855"},"PeriodicalIF":3.5,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518662","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}

引用次数: 0

Influence of vanadium doping on the in vitro bioactivity and osteoblast activity of spray-dried bioactive glass microspheres 钒掺杂对喷雾干燥生物活性玻璃微球体外生物活性和成骨细胞活性的影响

IF 3.5 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2026-01-15 Epub Date: 2025-11-06 DOI: 10.1016/j.jnoncrysol.2025.123850

Frizka Vietanti , Bing-Xuan Lu , Yu-Jen Chou

Bioactive glasses (BGs) have gained considerable interest owing to their excellent bioactivity and biodegradability. In addition, incorporating vanadium (V) has emerged as a promising strategy to enhance the biological performance for bone regeneration applications. Nevertheless, high V concentrations could suppress bioactivity and potentially induce cytotoxic effects. To investigate its impact toward spray-dried BGs, undoped and V-doped 58S BGs were fabricated with different V dopant concentrations (1, 3, and 5 mol%) via spray drying, while characterizations on the phase structure, morphology, bioactivity, and osteoblast activity were conducted. Results demonstrated that undoped and V-doped BG microspheres maintained amorphous structure and smooth spherical morphology, even at higher doping concentrations, along with the underlying formation mechanism discussed. Additionally, in vitro bioactivity results after immersion of V-doped bioactive glass microspheres in simulated body fluid (SBF) indicated that the formation of hydroxyapatite (HA) diminished as the concentration of V increased. Meanwhile, the evaluations of osteoblast activity confirmed that all samples were non-toxic, and the addition of V up to 3 mol% could promote the proliferation of osteoblast cells.

生物活性玻璃（BGs）因其优异的生物活性和生物可降解性而受到广泛关注。此外，加入钒(V)已成为一种有前途的策略，以提高骨再生应用的生物性能。然而，高浓度的V可能会抑制生物活性，并可能诱导细胞毒性作用。为了研究其对喷雾干燥BGs的影响，通过喷雾干燥制备了不同V掺杂浓度（1、3和5 mol%）的58S BGs，并对其相结构、形态、生物活性和成骨细胞活性进行了表征。结果表明，即使在较高的掺杂浓度下，未掺杂和v掺杂的BG微球仍保持非晶结构和光滑的球形形态，并讨论了潜在的形成机制。此外，V掺杂生物活性玻璃微球浸泡在模拟体液（SBF）后的体外生物活性结果表明，随着V浓度的增加，羟基磷灰石（HA）的形成减少。同时，对成骨细胞活性进行评价，证实所有样品均无毒，且添加浓度高达3 mol%的V可促进成骨细胞的增殖。

{"title":"Influence of vanadium doping on the in vitro bioactivity and osteoblast activity of spray-dried bioactive glass microspheres","authors":"Frizka Vietanti , Bing-Xuan Lu , Yu-Jen Chou","doi":"10.1016/j.jnoncrysol.2025.123850","DOIUrl":"10.1016/j.jnoncrysol.2025.123850","url":null,"abstract":"<div><div>Bioactive glasses (BGs) have gained considerable interest owing to their excellent bioactivity and biodegradability. In addition, incorporating vanadium (V) has emerged as a promising strategy to enhance the biological performance for bone regeneration applications. Nevertheless, high V concentrations could suppress bioactivity and potentially induce cytotoxic effects. To investigate its impact toward spray-dried BGs, undoped and V-doped 58S BGs were fabricated with different V dopant concentrations (1, 3, and 5 mol%) via spray drying, while characterizations on the phase structure, morphology, bioactivity, and osteoblast activity were conducted. Results demonstrated that undoped and V-doped BG microspheres maintained amorphous structure and smooth spherical morphology, even at higher doping concentrations, along with the underlying formation mechanism discussed. Additionally, in vitro bioactivity results after immersion of V-doped bioactive glass microspheres in simulated body fluid (SBF) indicated that the formation of hydroxyapatite (HA) diminished as the concentration of V increased. Meanwhile, the evaluations of osteoblast activity confirmed that all samples were non-toxic, and the addition of V up to 3 mol% could promote the proliferation of osteoblast cells.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"672 ","pages":"Article 123850"},"PeriodicalIF":3.5,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145442459","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}

引用次数: 0

Effect of hydrothermal treatment on the structure and foaming of waste glass 水热处理对废玻璃结构及发泡的影响

IF 3.5 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2026-01-01 Epub Date: 2025-11-01 DOI: 10.1016/j.jnoncrysol.2025.123837

Uroš Hribar , Matjaž Spreitzer , Jakob König

This study explores the potential of hydrothermally treated waste glass for producing foamed glass using a carbonaceous foaming agent (glycerol) in an air atmosphere. The objective was to assess the feasibility of this alternative route for producing sustainable, lightweight materials with reduced energy and material inputs by repurposing cathode ray tube panels (CRT), flint glass (FG), and mixed-color container glass (MCG). Investigated glass powders were treated in a saturated steam atmosphere inside a pressure vessel and characterized using X-ray diffraction and Fourier-transform spectroscopy to identify structural changes. The foaming behavior of hydrothermally treated waste was analyzed through heating stage microscopy and thermogravimetric analysis coupled with mass spectrometry. The foamed glass samples were further assessed for density and thermal conductivity.

The results demonstrate that hydrothermal treatment significantly influences the foaming process. Glass powders with higher content of structurally bonded water exhibit lower sintering temperature and pronounced expansion after the hydrothermal treatment. A higher hydration level reduced the onset foaming temperature and facilitated higher expansion. Additionally, combining hydrothermally treated powders with glycerol as a foaming agent enabled effective expansion, even in an air atmosphere, achieving density as low as 108 kg m^-3.

The results of this study suggest that hydrothermal treatment of waste glasses enables the implementation of carbonaceous foaming agents in the air atmosphere and could thus offer an alternative route for the foaming of glass.

本研究探索了在空气气氛中使用含碳发泡剂（甘油）对废玻璃进行水热处理以生产泡沫玻璃的潜力。目的是通过重新利用阴极射线管面板（CRT）、火石玻璃（FG）和混合色容器玻璃（MCG），评估这种替代路线的可行性，以减少能源和材料投入，生产可持续的轻质材料。所研究的玻璃粉在压力容器内的饱和蒸汽气氛中处理，并使用x射线衍射和傅里叶变换光谱来确定结构变化。采用加热级显微法、热重联用质谱法对水热处理后的废渣的发泡行为进行了分析。进一步评估了发泡玻璃样品的密度和导热性。结果表明，水热处理对泡沫过程有显著影响。结构结合水含量高的玻璃粉经水热处理后，烧结温度较低，膨胀明显。水化水平越高，发泡温度越低，膨胀率越高。此外，将水热处理的粉末与甘油作为发泡剂相结合，即使在空气中也能有效膨胀，密度低至108 kg m-3。本研究结果表明，水热处理废玻璃使碳质发泡剂在空气气氛中得以实现，从而为玻璃的发泡提供了另一种途径。

{"title":"Effect of hydrothermal treatment on the structure and foaming of waste glass","authors":"Uroš Hribar , Matjaž Spreitzer , Jakob König","doi":"10.1016/j.jnoncrysol.2025.123837","DOIUrl":"10.1016/j.jnoncrysol.2025.123837","url":null,"abstract":"<div><div>This study explores the potential of hydrothermally treated waste glass for producing foamed glass using a carbonaceous foaming agent (glycerol) in an air atmosphere. The objective was to assess the feasibility of this alternative route for producing sustainable, lightweight materials with reduced energy and material inputs by repurposing cathode ray tube panels (CRT), flint glass (FG), and mixed-color container glass (MCG). Investigated glass powders were treated in a saturated steam atmosphere inside a pressure vessel and characterized using X-ray diffraction and Fourier-transform spectroscopy to identify structural changes. The foaming behavior of hydrothermally treated waste was analyzed through heating stage microscopy and thermogravimetric analysis coupled with mass spectrometry. The foamed glass samples were further assessed for density and thermal conductivity.</div><div>The results demonstrate that hydrothermal treatment significantly influences the foaming process. Glass powders with higher content of structurally bonded water exhibit lower sintering temperature and pronounced expansion after the hydrothermal treatment. A higher hydration level reduced the onset foaming temperature and facilitated higher expansion. Additionally, combining hydrothermally treated powders with glycerol as a foaming agent enabled effective expansion, even in an air atmosphere, achieving density as low as 108 kg m<sup>-3</sup>.</div><div>The results of this study suggest that hydrothermal treatment of waste glasses enables the implementation of carbonaceous foaming agents in the air atmosphere and could thus offer an alternative route for the foaming of glass.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"671 ","pages":"Article 123837"},"PeriodicalIF":3.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145420170","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}

引用次数: 0

Anomalies in thermal conductivity and phonon mean free path in alkali and alkaline earth metal silicate melts: Quasi-classical and classical molecular dynamics study 碱土和碱土金属硅酸盐熔体的热导率和声子平均自由程异常：准经典和经典分子动力学研究

IF 3.5 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2026-01-01 Epub Date: 2025-10-31 DOI: 10.1016/j.jnoncrysol.2025.123831

Masahiro Shimizu , Yuma Noguchi , Sohei Sukenaga , Rie Endo , Tsuyoshi Nishi , Yasuhiko Shimotsuma , Kiyotaka Miura

A comparison between the thermal conductivities (

κ

) determined using quasi-classical molecular dynamics and classical molecular dynamics for 33.3Na₂O–66.7SiO₂ (mol%) shows that we can neglect the quantum effect when the temperature exceeds 1100 K. At 1200 K, we identified a linear relationship between

κ

and sound velocity(v) in R₂O–SiO₂ (R: Li, Na, K), despite that the density (ρ), specific heat capacity at constant pressure (C_p), and mean free path (MFP, l) depend on the composition and contribute to thermal conductivity through

κ

= 1/3ρC_pvl. Furthermore, for the R’O–SiO₂(R’: Ca, Sr) system at 1200 K,

κ

as a function of v does not conform to the line of R₂O–SiO₂, which is attributed to the shorter MFP (l) of R’O–SiO₂ than that of R₂O–SiO₂. This is counterintuitive because the O–R’–O bond would preferably act as a bridge between the two non-bridging oxygens for phonon transport.

对33.3Na2O-66.7SiO2 （mol%）的准经典分子动力学和经典分子动力学的热导率（κ）进行比较表明，当温度超过1100 K时，量子效应可以忽略不计。在1200 K时，我们发现r20 - sio2 （R: Li, Na， K）中的κ与声速(v)之间存在线性关系，尽管密度（ρ），恒压比热容（Cp）和平均自由程（MFP, l）取决于成分，并通过κ = 1/3ρCpvl对导热系数有贡献。此外，在1200 K下，R ' o - sio2 （R ': Ca, Sr）体系中，κ随v的函数不符合r20 - sio2的谱线，这是由于R ' o - sio2的MFP (l)比r20 - sio2短。这是违反直觉的，因为O-R ' -O键更倾向于作为两个非桥接氧之间的桥梁来进行声子传输。

{"title":"Anomalies in thermal conductivity and phonon mean free path in alkali and alkaline earth metal silicate melts: Quasi-classical and classical molecular dynamics study","authors":"Masahiro Shimizu , Yuma Noguchi , Sohei Sukenaga , Rie Endo , Tsuyoshi Nishi , Yasuhiko Shimotsuma , Kiyotaka Miura","doi":"10.1016/j.jnoncrysol.2025.123831","DOIUrl":"10.1016/j.jnoncrysol.2025.123831","url":null,"abstract":"<div><div>A comparison between the thermal conductivities (<span><math><mi>κ</mi></math></span>) determined using quasi-classical molecular dynamics and classical molecular dynamics for 33.3Na<sub>2</sub>O–66.7SiO<sub>2</sub> (mol%) shows that we can neglect the quantum effect when the temperature exceeds 1100 K. At 1200 K, we identified a linear relationship between <span><math><mi>κ</mi></math></span> and sound velocity(<em>v</em>) in R<sub>2</sub>O–SiO<sub>2</sub> (R: Li, Na, K), despite that the density (<em>ρ</em>), specific heat capacity at constant pressure (<em>C<sub>p</sub></em>), and mean free path (MFP, <em>l</em>) depend on the composition and contribute to thermal conductivity through <span><math><mi>κ</mi></math></span> = 1/3<em>ρC<sub>p</sub>vl</em>. Furthermore, for the R’O–SiO<sub>2</sub>(R’: Ca, Sr) system at 1200 K, <span><math><mi>κ</mi></math></span> as a function of <em>v</em> does not conform to the line of R<sub>2</sub>O–SiO<sub>2</sub>, which is attributed to the shorter MFP (<em>l</em>) of R’O–SiO<sub>2</sub> than that of R<sub>2</sub>O–SiO<sub>2</sub>. This is counterintuitive because the O–R’–O bond would preferably act as a bridge between the two non-bridging oxygens for phonon transport.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"671 ","pages":"Article 123831"},"PeriodicalIF":3.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145398220","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}

引用次数: 0

Bidirectional evolution of NBOHC defects and its effect on laser damage resistance of fused silica during laser conditioning 激光调理过程中NBOHC缺陷的双向演化及其对熔融二氧化硅抗激光损伤性能的影响

IF 3.5 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2026-01-01 Epub Date: 2025-11-04 DOI: 10.1016/j.jnoncrysol.2025.123853

Qing Mu , Xing Gao , Yanzhi Wang , Ping Zhou

Fused silica is a cornerstone material in optics due to its exceptional optical transparency and chemical inertness. Laser conditioning shows pronounced potential to improve its laser damage resistance by pre-irradiated with sub-threshold laser pulses. However, it still causes the degradation in performance, and even catastrophic damage, limited by the unresolved defect evolution under laser irradiation, where contradictory mechanisms, i.e., defect reduction versus multiplication, are yet to be clarified. To clarify this issue and uncover the mechanisms and influencing factors of defect evolution, this work investigates the dynamic behavior of defects during laser conditioning using non-bridging oxygen hole center (NBOHC) as an example. The results reveal that both multiplication and reduction of NBOHC could occur on the same sample with the improvement and degradation in laser induced damage threshold, demonstrating bidirectional evolution of NBOHC. Elevated temperatures drive the transition from the reduction to multiplication, and the corresponding turning point depends on the initial NBOHC population. The competing between NBOHC multiplication and reduction is elucidated. Specifically, NBOHC multiplication arises from bond cleavage at overcoordinated Si sites, while reduction occurs via the reverse reaction, recombination with E’ center, or conversion into other defects. Finally, an evolution model is proposed to predict whether the NBOHC multiplication or reduction dominates under given condition. These findings contribute to the understanding of defect bidirectional evolution during laser conditioning and offer insights for improving the performance of fused silica.

熔融二氧化硅因其优异的光学透明性和化学惰性而成为光学领域的基石材料。通过亚阈值激光脉冲预照射，激光调理显示出明显的提高其抗激光损伤能力的潜力。然而，由于激光照射下尚未解决的缺陷演变，缺陷减少与倍增的矛盾机制尚未明确，因此仍然会导致性能下降，甚至灾难性损坏。为了澄清这一问题，揭示缺陷演变的机制和影响因素，本工作以非桥接氧孔中心（NBOHC）为例，研究了激光调理过程中缺陷的动态行为。结果表明，随着激光损伤阈值的提高和降低，NBOHC在同一样品上既可以增殖也可以减少，呈现出NBOHC的双向演化。升高的温度驱动了从还原到倍增的转变，相应的转折点取决于初始NBOHC种群。阐明了NBOHC增殖与还原之间的竞争关系。具体来说，NBOHC的增殖是由过配位Si位点的键裂解引起的，而还原则是通过逆反应、与E '中心的重组或转化为其他缺陷而发生的。最后，提出了一个演化模型来预测在给定条件下NBOHC增殖或还原是否占主导地位。这些发现有助于理解激光调理过程中缺陷的双向演变，并为提高熔融二氧化硅的性能提供见解。

{"title":"Bidirectional evolution of NBOHC defects and its effect on laser damage resistance of fused silica during laser conditioning","authors":"Qing Mu , Xing Gao , Yanzhi Wang , Ping Zhou","doi":"10.1016/j.jnoncrysol.2025.123853","DOIUrl":"10.1016/j.jnoncrysol.2025.123853","url":null,"abstract":"<div><div>Fused silica is a cornerstone material in optics due to its exceptional optical transparency and chemical inertness. Laser conditioning shows pronounced potential to improve its laser damage resistance by pre-irradiated with sub-threshold laser pulses. However, it still causes the degradation in performance, and even catastrophic damage, limited by the unresolved defect evolution under laser irradiation, where contradictory mechanisms, i.e., defect reduction versus multiplication, are yet to be clarified. To clarify this issue and uncover the mechanisms and influencing factors of defect evolution, this work investigates the dynamic behavior of defects during laser conditioning using non-bridging oxygen hole center (NBOHC) as an example. The results reveal that both multiplication and reduction of NBOHC could occur on the same sample with the improvement and degradation in laser induced damage threshold, demonstrating bidirectional evolution of NBOHC. Elevated temperatures drive the transition from the reduction to multiplication, and the corresponding turning point depends on the initial NBOHC population. The competing between NBOHC multiplication and reduction is elucidated. Specifically, NBOHC multiplication arises from bond cleavage at overcoordinated Si sites, while reduction occurs via the reverse reaction, recombination with E’ center, or conversion into other defects. Finally, an evolution model is proposed to predict whether the NBOHC multiplication or reduction dominates under given condition. These findings contribute to the understanding of defect bidirectional evolution during laser conditioning and offer insights for improving the performance of fused silica.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"671 ","pages":"Article 123853"},"PeriodicalIF":3.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145475501","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}

引用次数: 0

Letter to editor: Expanding perspectives on structural variability and luminescence in tektites 给编辑的信：扩展对晶陨石结构变异性和发光的观点

IF 3.5 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2026-01-01 Epub Date: 2025-11-03 DOI: 10.1016/j.jnoncrysol.2025.123851

Parth Aphale, Himanshu Shekhar, Shashank Dokania

We read with great interest the article by Świontek et al. entitled “Amorphous structure and thermoluminescence characteristics of moldavites from Lower Silesia (Poland) and an indochinite from China” published in the Journal of Non-Crystalline Solids [1]. The study provides valuable comparative insights into structural and luminescence properties of tektites, a subject that continues to attract attention given their complex origin and potential as natural analogues for silicate glasses. While the methodological rigor of the work is commendable, several aspects merit further discussion and clarification.

我们饶有兴趣地阅读了Świontek等人发表在《非结晶固体杂志》（Journal of Non-Crystalline Solids[1]）上的文章，题为“波兰下西里西亚moldavites和中国indochinite的无定形结构和热释光特性”。该研究提供了有价值的比较见解的结构和发光性质的球晶石，一个主题，继续吸引人们的关注，因为它们的复杂的起源和潜力的天然类似物的硅酸盐玻璃。虽然这项工作在方法上的严谨性值得赞扬，但有几个方面值得进一步讨论和澄清。

引用次数: 0

Hierarchical crystallization under extreme conditions enables self-strengthening in cement hydrates 极端条件下的分层结晶使水泥水合物能够自我强化

IF 3.5 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2026-01-01 Epub Date: 2025-11-01 DOI: 10.1016/j.jnoncrysol.2025.123834

Nianqiang Zhang , Tao Du , Yuchen Shang , Xiang Xu , Huigang Xiao , Zhaodong Liu , Bingbing Liu , Hui Li

The intrinsic brittleness of cement-based materials is largely attributed to the disordered and porous microstructure of their primary binding phase, namely calcium silicate hydrates (C-S-H). Overcoming this limitation requires a fundamental shift in the structural organization of hydration products. In this study, we explore the hydration of Ca₃SiO₅ (C₃S) under extreme high-temperature and high-pressure (HTHP) conditions—up to 500 °C and 15 GPa—to induce a transformation from disordered C-S-H gels to hierarchically ordered nanocrystalline phases. This structural evolution yields remarkable mechanical enhancements, including a 490 % increase in indentation modulus, a 2300 % increase in creep modulus, and a 480 % increase in micropillar compressive strength. Through a combined experimental and molecular dynamics simulation approach, we demonstrate that these improvements are directly attributed to the formation of hydrous larnite (HL) and hydrous post-hatrurite (HPH), which form a hierarchical crystalline network. These crystalline domains confer superior stress resistance and effectively suppress crack initiation and propagation, enabling efficient dissipation of strain energy via self-reinforcing mechanisms. Our findings establish hierarchical crystallization under extreme conditions as a promising bottom-up strategy for the intrinsic reinforcement of cement hydrates, opening new avenues for the design of high-performance, next-generation cementitious materials.

水泥基材料的固有脆性很大程度上归因于其初级结合相，即硅酸钙水合物（C-S-H）的无序和多孔微观结构。克服这一限制需要从根本上改变水化产物的结构组织。在这项研究中，我们探索了Ca3SiO5 （C3S）在高达500°C和15 gpa的极端高温高压（HTHP）条件下的水化作用，以诱导无序的C- s - h凝胶向分层有序的纳米晶相转变。这种结构演变产生了显著的力学增强，包括压痕模量增加490%，蠕变模量增加230%，微柱抗压强度增加480%。通过实验和分子动力学模拟相结合的方法，我们证明了这些改进直接归因于水合larnite （HL）和水合post- hatrite （HPH）的形成，它们形成了一个分层的晶体网络。这些晶域具有优异的抗应力性，有效地抑制了裂纹的萌生和扩展，通过自我强化机制实现了应变能的有效耗散。我们的研究结果建立了极端条件下的分层结晶，作为一种有希望的自下而上的水泥水合物内在增强策略，为高性能下一代胶凝材料的设计开辟了新的途径。

{"title":"Hierarchical crystallization under extreme conditions enables self-strengthening in cement hydrates","authors":"Nianqiang Zhang , Tao Du , Yuchen Shang , Xiang Xu , Huigang Xiao , Zhaodong Liu , Bingbing Liu , Hui Li","doi":"10.1016/j.jnoncrysol.2025.123834","DOIUrl":"10.1016/j.jnoncrysol.2025.123834","url":null,"abstract":"<div><div>The intrinsic brittleness of cement-based materials is largely attributed to the disordered and porous microstructure of their primary binding phase, namely calcium silicate hydrates (C-S-H). Overcoming this limitation requires a fundamental shift in the structural organization of hydration products. In this study, we explore the hydration of Ca<sub>3</sub>SiO<sub>5</sub> (C<sub>3</sub>S) under extreme high-temperature and high-pressure (HTHP) conditions—up to 500 °C and 15 GPa—to induce a transformation from disordered C-S-H gels to hierarchically ordered nanocrystalline phases. This structural evolution yields remarkable mechanical enhancements, including a 490 % increase in indentation modulus, a 2300 % increase in creep modulus, and a 480 % increase in micropillar compressive strength. Through a combined experimental and molecular dynamics simulation approach, we demonstrate that these improvements are directly attributed to the formation of hydrous larnite (HL) and hydrous post-hatrurite (HPH), which form a hierarchical crystalline network. These crystalline domains confer superior stress resistance and effectively suppress crack initiation and propagation, enabling efficient dissipation of strain energy via self-reinforcing mechanisms. Our findings establish hierarchical crystallization under extreme conditions as a promising bottom-up strategy for the intrinsic reinforcement of cement hydrates, opening new avenues for the design of high-performance, next-generation cementitious materials.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"671 ","pages":"Article 123834"},"PeriodicalIF":3.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145420168","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}

引用次数: 0