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Investigating the impact of magnetic fields on the corrosion resistance of Fe-based amorphous coatings: Insights from fractal dimension analysis and oxygen vacancy behavior 研究磁场对铁基非晶涂层耐蚀性的影响：来自分形维数分析和氧空位行为的见解
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS
Journal of Non-crystalline Solids
Pub Date : 2025-11-20 DOI: 10.1016/j.jnoncrysol.2025.123875
Miqi Wang , Chi He , Buxiang Li , Liyuan Li , Jing Sun , Aihui Liu , Fang Shi
This investigation studied the electrochemical corrosion performance of plasma sprayed Fe₅₀Co₂₅Si₁₀B₁₅ amorphous coating immersed in 3.5 wt.% NaCl solution for 7 d under varied external magnetic field intensities (0 T, 0.1 T, and 0.4 T). The results revealed that binary phases including Fe2O3 and CoFe changed slightly due to the constraint effect of magnetic field. The calculation of fractal dimension parameter (D) indicated that the surface morphology was substantially influenced by magnetic field. Normalized electrochemical data analysis based on trigonometric function transformation using fractal dimension and electrochemical parameters demonstrated that fractal dimension significantly dominated the electrochemical corrosion behavior. The diffusion coefficient of oxygen vacancies and the computed break frequency from EIS confirmed that the rate-limiting steps were modified by magnetic field. The presence of water film amplified the electrochemical reactions by facilitating ions transport. These findings provide valuable insights into the mechanisms predominated by magnetic field through collaboration with mathematical methods, offering potential strategies for tuning the corrosion resistance in simulated marine circumstances.
该研究研究了等离子喷涂Fe₅₀Co₂₅Si₁₀B₁₅无定形涂层在不同的外部磁场强度（0 T， 0.1 T和0.4 T）下浸入3.5 wt.% NaCl溶液7 d的电化学腐蚀性能。结果表明，由于磁场的约束作用，Fe2O3和CoFe二相发生了轻微的变化。分形维数参数(D)的计算表明，表面形貌受磁场影响较大。基于分形维数和电化学参数三角函数变换的归一化电化学数据分析表明，分形维数对电化学腐蚀行为具有显著的支配作用。氧空位的扩散系数和EIS计算的断裂频率证实了磁场对限速步骤的修正。水膜的存在通过促进离子的传递而放大了电化学反应。这些发现通过与数学方法的合作，为磁场主导的机制提供了有价值的见解，为在模拟海洋环境中调整耐腐蚀性提供了潜在的策略。
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引用次数: 0
Tuning properties of amorphous boron via hydrogenation: An ab initio study 非晶硼氢化调谐特性：从头算研究
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS
Journal of Non-crystalline Solids
Pub Date : 2025-11-19 DOI: 10.1016/j.jnoncrysol.2025.123874
Murat Durandurdu
Ab initio simulations are employed to investigate the structural, mechanical, and electronic properties of hydrogenated amorphous boron (a-B:H) across a range of hydrogen concentrations (≈6–21 at.%). The results indicate that pentagonal-like boron clusters constitute the primary structural motifs. The bonding environment consists of both B–H terminal bonds and B–H–B bridging bonds, with the fraction of bridging bonds ranging from 10 % to 16 %. Increasing the hydrogen content leads to a reduction in density and bulk modulus, accompanied by a systematic widening of the electronic band gap. These results demonstrate that hydrogen incorporation profoundly modifies the atomic structure, softens the network, and enhances the semiconducting character of a-B:H, highlighting the tunability of properties in boron-based amorphous materials.
采用从头算模拟研究了氢化非晶硼（a- b:H）在一定氢浓度（≈6-21 at.%）范围内的结构、力学和电子性能。结果表明，五角形硼团簇是主要的结构基序。成键环境由B-H末端键和B-H - b桥接键组成，桥接键的比例在10% ~ 16%之间。氢含量的增加导致密度和体积模量的降低，并伴随着电子带隙的系统性扩大。这些结果表明，氢的加入深刻地改变了原子结构，软化了网络，增强了a-B:H的半导体特性，突出了硼基非晶材料性能的可调性。
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引用次数: 0
Engineering TiO2-phosphate glass networks: A paradigm shift toward self-optimizing photocatalytic materials 工程二氧化钛-磷酸盐玻璃网络：向自优化光催化材料的范式转变
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS
Journal of Non-crystalline Solids
Pub Date : 2025-11-19 DOI: 10.1016/j.jnoncrysol.2025.123868
Assamadi Chaima , EL Bannay Abdelghani , EL Binna Noureddine , EL Masloumi Mohamed , Sayeh Khadija , Hasnaoui Ali , AIT ALI Mustapha , EL Abiad Abdelaziz , Aouad Hakima
This study presents the synthesis and characterization of TiO2-doped phosphate glass-ceramics with composition (1–2x) ZnONa2O-P2O5-xTiO2 (0 ≤ x ≤ 0.05 mol%) for photocatalytic wastewater treatment. Materials were prepared via melt-quenching at 1000 °C, followed by a controlled two-step heat treatment to induce crystallization. Structural characterization by XRD, FTIR, SEM, and UV–Vis spectroscopy confirmed progressive formation of NaZn(PO3)3 and anatase TiO2 crystalline phases. Thermal analysis revealed a systematic increase in glass transition temperature from 335 to 340 °C, indicating enhanced network rigidity through P-O-Ti bonding. FTIR spectra evidenced structural evolution from mixed Q1-Q2 phosphate environments to predominantly Q2 metaphosphate units after crystallization, consistent with the P/O ratio 3. Density increased from 2.75 to 2.82 g·cm-3 in glassy samples, while glass-ceramics exhibited slightly lower densities (2.60–2.69 g·cm-3) due to crystallization-induced porosity. Optical bandgap decreased from 3.27 to 3.20 eV, improving visible-light absorption. Photocatalytic tests using MB under UV–visible irradiation demonstrated that ZNPT0.04 glass-ceramic exhibited optimal activity with a degradation rate constant of 0.0149 min⁻¹, exceeding undoped glass by twofold. Optimum conditions were 0.4 g·L⁻¹ catalyst dose and pH 6. Scavenger experiments identified hydroxyl radicals and photogenerated holes as dominant reactive species. The material retained over 90% efficiency after seven consecutive cycles, demonstrating excellent reusability. These findings establish TiO2-modified phosphate glass-ceramics as promising durable photocatalysts for sustainable environmental remediation.
本文研究了（1-2x） znona20 - p2o5 - xtio2（0≤x≤0.05 mol%）掺杂磷酸盐微晶玻璃的合成与表征，用于光催化废水处理。材料在1000℃下熔融淬火，然后进行可控的两步热处理以诱导结晶。通过XRD、FTIR、SEM和UV-Vis光谱等表征，证实了NaZn(PO3)3和锐钛矿型TiO2晶体相的逐步形成。热分析表明，玻璃化转变温度从335℃上升到340℃，表明通过P-O-Ti键合提高了网络刚度。FTIR光谱证明了结晶后结构从混合Q1-Q2磷酸环境向以Q2偏磷酸单元为主的演变，P/O比为3。玻璃样品的密度从2.75 g·cm-3增加到2.82 g·cm-3，而微晶陶瓷由于结晶引起的孔隙率，密度略低（2.60 g·cm-3）。光学带隙从3.27 eV减小到3.20 eV，提高了可见光吸收。紫外可见光催化试验表明，ZNPT0.04玻璃陶瓷具有最佳的降解活性，其降解速率常数为0.0149 min - 1，是未掺杂玻璃的2倍。催化剂用量0.4 g·L， pH为6。清道夫实验发现羟基自由基和光生空穴是主要的反应物质。该材料在连续七次循环后保持了90%以上的效率，表现出优异的可重复使用性。这些发现表明，二氧化钛修饰的磷酸盐微晶玻璃是一种有前景的持久光催化剂，可用于可持续的环境修复。
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引用次数: 0
Tailoring the permittivity-toughness-modulus of Li2O-Al2O3-SiO2 glass-ceramics for integrated circuit package: Effect of α-tridymite (SiO2) phase 集成电路封装用Li2O-Al2O3-SiO2微晶玻璃介电常数-韧性-模量的裁剪：α-三晶石（SiO2）相的影响
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS
Journal of Non-crystalline Solids
Pub Date : 2025-11-18 DOI: 10.1016/j.jnoncrysol.2025.123870
Le Chen , Wenjie Ge , Haishen Ren , Huixing Lin
High-performance chip packaging glass substrate generally requires low dielectric properties and superior mechanical performance. This study employed a multi-step heat treatment protocol to fabricate a series of Li2O-Al2O3-SiO2 (LAS) glass-ceramic (SL1-SL6) samples with varying metal oxide contents. Research indicates that increasing the SiO2 content while reducing the Li2O content in LAS glass-ceramics can modulate the abundance of the α-tridymite phase, thereby optimizing a spectrum of properties, including enhanced toughness and improved dielectric performance. Experimental results demonstrate that when the SiO2/Li2O mass ratio increases to 6.69 (SL6), the glass-ceramic achieves permittivity as low as 5.266 and loss tangent of 7.23×10−3. Concurrently, SL6 also exhibits a high elastic modulus (99.7 GPa) and fracture toughness (1.90 MPa·m1/2). Furthermore, SL6 possesses CTE of 11.322×10−6 K−1 (50∼500 °C). The adoption of a multi-step heat treatment protocol coupled with compositional adjustments proves effective in refining the properties of glass-ceramics, offering technical support for realizing low-cost, high-performance chip packaging substrates.
高性能芯片封装玻璃基板一般要求较低的介电性能和优越的机械性能。本研究采用多步热处理工艺制备了一系列不同金属氧化物含量的Li2O-Al2O3-SiO2 （LAS）玻璃陶瓷（SL1-SL6）样品。研究表明，在LAS微晶玻璃中增加SiO2含量，同时降低Li2O含量，可以调节α-钇石相的丰度，从而优化其一系列性能，包括增强韧性和改善介电性能。实验结果表明，当SiO2/Li2O质量比增加到6.69 （SL6）时，玻璃陶瓷的介电常数低至5.266，损耗正切为7.23×10−3。同时，SL6还具有较高的弹性模量（99.7 GPa）和断裂韧性（1.90 MPa·m1/2）。此外，SL6的CTE值为11.322×10−6 K−1（50 ~ 500°C）。采用多步骤热处理方案加上成分调整，有效地改善了微晶玻璃的性能，为实现低成本，高性能的芯片封装基板提供了技术支持。
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引用次数: 0
Quantifying bonding preferences in oxide glass structures across a sub-nanometer scale. II. Second coordination sphere 在亚纳米尺度上量化氧化玻璃结构中的键合偏好。2。第二协调球
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS
Journal of Non-crystalline Solids
Pub Date : 2025-11-18 DOI: 10.1016/j.jnoncrysol.2025.123864
Mattias Edén, Baltzar Stevensson
Our previous paper (Edén and Stevensson, full citation to NOC123865) discussed the bonding preferences of the first-coordination spheres of the bridging oxygen (BO) and non-bridging oxygen (NBO) species with the network formers (F) and modifiers (M) in oxide glasses. This paper moves the spotlight onto the F and M second coordination spheres, encompassing the preferential intermixing of the FOp network polyhedra along with the relative propensities of distinct network-modifier species (e.g., Na+ and Ca2＋) to charge-balance the various anionic moieties of the glass network. The importance of accounting for the relative F–NBO and F′–NBO bonding affinities is frequently overlooked when assessing the preferred and disfavored F–O–F′ linkages in aluminosilicate and/or borosilicate (BS) glass networks. This aspect is illustrated in the context of B[p]–O–B[q] linkage preferences in BS glasses, as well as for assessing the relative preferences for forming B[4]–O–Si and B[4]–O–B[3] bridges, whose quantifications are revised and improved relative to an earlier study. Particular attention is given to the Al[4]–O–Al[4] and B[4]–O–B[4] linkages that have traditionally been postulated to be largely absent but have nonetheless been shown to exist to variable amounts in many Al and/or B bearing oxide glasses. We also review the results of a recent nuclear magnetic resonance (NMR) approach employed for estimating the relative preferences of B
我们之前的论文（ed和史蒂文森，完整引用NOC123865）讨论了桥接氧（BO）和非桥接氧（NBO）的第一配位球在氧化玻璃中与网络形成物(F)和修饰剂(M)的成键偏好。本文将焦点转移到F和M第二配位球上，包括FOp网络多面体的优先混合以及不同网络改性剂（例如Na+和Ca2+）对玻璃网络中各种阴离子部分的电荷平衡的相对倾向。在评估铝硅酸盐和/或硼硅酸盐（BS）玻璃网络中优选和不优选的F - o - F ‘键时，考虑F -NBO和F ’ -NBO键的相对亲和度的重要性经常被忽视。这方面在BS玻璃中的B[p] -O-B [q]键偏好，以及B[4] -O-Si和B[4] -O-B[3]桥形成的相对偏好的背景下得到了说明，其量化相对于早期的研究进行了修订和改进。特别注意的是Al[4] -O-Al[4]和B[4] -O-B[4]键，传统上认为这些键基本上不存在，但在许多含Al和/或含B的氧化玻璃中显示出不同数量的存在。我们还回顾了最近的核磁共振（NMR）方法的结果，该方法用于估计BS玻璃中B[3] -O-Si和B[4] -O-Si键形成的相对偏好，以及在磷硅酸盐玻璃中Na+和Ca2+阳离子与硅酸盐和磷酸盐基团结合的相对倾向。
{"title":"Quantifying bonding preferences in oxide glass structures across a sub-nanometer scale. II. Second coordination sphere","authors":"Mattias Edén,&nbsp;Baltzar Stevensson","doi":"10.1016/j.jnoncrysol.2025.123864","DOIUrl":"10.1016/j.jnoncrysol.2025.123864","url":null,"abstract":"<div><div>Our previous paper (Edén and Stevensson, full citation to NOC123865) discussed the bonding preferences of the first-coordination spheres of the bridging oxygen (BO) and non-bridging oxygen (NBO) species with the network formers (<span><math><mi>F</mi></math></span>) and modifiers (<span><math><mi>M</mi></math></span>) in oxide glasses. This paper moves the spotlight onto the <span><math><mi>F</mi></math></span> and <span><math><mi>M</mi></math></span> second coordination spheres, encompassing the preferential intermixing of the <span><math><mi>F</mi></math></span>O<span><math><msub><mrow></mrow><mrow><mi>p</mi></mrow></msub></math></span> network polyhedra along with the relative propensities of distinct network-modifier species (e.g., Na<span><math><msup><mrow></mrow><mrow><mo>+</mo></mrow></msup></math></span> and Ca<sup>2＋</sup>) to charge-balance the various anionic moieties of the glass network. The importance of accounting for the relative <span><math><mi>F</mi></math></span>–NBO and <span><math><msup><mrow><mi>F</mi></mrow><mrow><mo>′</mo></mrow></msup></math></span>–NBO bonding affinities is frequently overlooked when assessing the preferred and disfavored <span><math><mi>F</mi></math></span>–O–<span><math><msup><mrow><mi>F</mi></mrow><mrow><mo>′</mo></mrow></msup></math></span> linkages in aluminosilicate and/or borosilicate (BS) glass networks. This aspect is illustrated in the context of B<span><math><msup><mrow></mrow><mrow><mrow><mo>[</mo><mi>p</mi><mo>]</mo></mrow></mrow></msup></math></span>–O–B<span><math><msup><mrow></mrow><mrow><mrow><mo>[</mo><mi>q</mi><mo>]</mo></mrow></mrow></msup></math></span> linkage preferences in BS glasses, as well as for assessing the relative preferences for forming B<span><math><msup><mrow></mrow><mrow><mrow><mo>[</mo><mn>4</mn><mo>]</mo></mrow></mrow></msup></math></span>–O–Si and B<span><math><msup><mrow></mrow><mrow><mrow><mo>[</mo><mn>4</mn><mo>]</mo></mrow></mrow></msup></math></span>–O–B<span><math><msup><mrow></mrow><mrow><mrow><mo>[</mo><mn>3</mn><mo>]</mo></mrow></mrow></msup></math></span> bridges, whose quantifications are revised and improved relative to an earlier study. Particular attention is given to the Al<span><math><msup><mrow></mrow><mrow><mrow><mo>[</mo><mn>4</mn><mo>]</mo></mrow></mrow></msup></math></span>–O–Al<span><math><msup><mrow></mrow><mrow><mrow><mo>[</mo><mn>4</mn><mo>]</mo></mrow></mrow></msup></math></span> and B<span><math><msup><mrow></mrow><mrow><mrow><mo>[</mo><mn>4</mn><mo>]</mo></mrow></mrow></msup></math></span>–O–B<span><math><msup><mrow></mrow><mrow><mrow><mo>[</mo><mn>4</mn><mo>]</mo></mrow></mrow></msup></math></span> linkages that have traditionally been postulated to be largely absent but have nonetheless been shown to exist to variable amounts in many Al and/or B bearing oxide glasses. We also review the results of a recent nuclear magnetic resonance (NMR) approach employed for estimating the relative preferences of B<span><math><msup><mrow></m","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"673 ","pages":"Article 123864"},"PeriodicalIF":3.5,"publicationDate":"2025-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145571134","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
Investigation of the influence of nonlinear absorption properties on glass modification induced by femtosecond laser irradiation 非线性吸收特性对飞秒激光辐照玻璃改性影响的研究
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS
Journal of Non-crystalline Solids
Pub Date : 2025-11-12 DOI: 10.1016/j.jnoncrysol.2025.123867
Zheli Lin , Luyao Xu , Jinchi Wu , Xinquan Zhang , Mingjun Ren , Limin Zhu , Yoshio Hayasaki , Honghao Zhang , Peng Wang
Precise control of femtosecond laser-induced modification in transparent materials is critical for ultra-precise fabrication of glass-based components. In this work, a predictive model was developed based on the classical optical breakdown mechanism, incorporating multi-pulse accumulation effects and nonlinear absorption characteristics. The nonlinear absorption coefficients of quartz glass, borosilicate glass, and soda-lime glass were accurately measured. These material-specific parameters were integrated into the model to simulate energy deposition and predict the shape and size of the laser-induced modified regions. The predicted results showed excellent agreement with experimental observations. This study offers a practical and reliable strategy for guiding high-precision femtosecond laser processing of transparent dielectrics, with strong potential for applications in optics, biomedicine, and microfluidics.
精确控制飞秒激光诱导的透明材料改性对于玻璃基部件的超精密制造至关重要。本文基于经典的光击穿机制，建立了一个考虑多脉冲积累效应和非线性吸收特性的预测模型。测定了石英玻璃、硼硅玻璃和钠石灰玻璃的非线性吸收系数。将这些材料特定参数集成到模型中，以模拟能量沉积并预测激光诱导修饰区的形状和大小。预测结果与实验结果非常吻合。该研究为指导透明介质的高精度飞秒激光加工提供了一种实用可靠的策略，在光学、生物医学、微流体等领域具有很强的应用潜力。
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引用次数: 0
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 : 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。
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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 : 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 (Tg), 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。
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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 : 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。
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引用次数: 0
Effect of optical basicity on the wetting behavior of glass Frit on SiNx passivation layers 光学碱度对玻璃熔块在SiNx钝化层上润湿行为的影响
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS
Journal of Non-crystalline Solids
Pub Date : 2025-11-08 DOI: 10.1016/j.jnoncrysol.2025.123863
Zihao Sun , Ting Ye , Qian Li , Yinghu Sun , Jiachen Wang , Shenghua Ma
This study explores the impact of optical basicity on the wetting behavior of glass frits employed in the metallization of crystalline silicon solar cells. A lead-tellurium-bismuth-silica glass system was employed, and the optical basicity was altered by adjusting the cation ratios. High-temperature wetting tests were carried out on SiNx passivation layers to examine the wetting behavior of the glass melts. The results show that low silica content leads to higher optical basicity, less polymerized glass networks, lower melt viscosity, and stronger interfacial reactivity, improving wetting and spreading. Conversely, high silica content lowers optical basicity, increases melt viscosity, and weakens reactivity, impairing wettability and forming regular hemispherical shapes. The study reveals that silica content directly affects melt viscosity and interfacial reactivity, that it is key to controlling frit wettability, and that optical basicity can be used as an important parameter to reflect this effect.
本研究探讨了光学碱度对晶体硅太阳能电池金属化玻璃熔块润湿行为的影响。采用铅-碲-铋-硅玻璃体系，通过调整阳离子比例来改变光学碱度。采用高温润湿试验对SiNx钝化层进行了润湿试验，考察了玻璃熔体的润湿行为。结果表明，二氧化硅含量越低，光学碱度越高，聚合玻璃网络越少，熔体粘度越低，界面反应性越强，润湿性和铺展性越好。相反，高硅含量会降低光学碱度，增加熔体粘度，减弱反应性，影响润湿性，形成规则的半球形。研究表明，二氧化硅含量直接影响熔体粘度和界面反应性，是控制熔块润湿性的关键，光学碱度可以作为反映这种影响的重要参数。
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引用次数: 0
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