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Phase-field modeling of crack growth and interface sliding in ceramic matrix composites 陶瓷基复合材料裂纹扩展和界面滑动的相场模拟
IF 3.8 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-11-24 DOI: 10.1111/jace.70404
Fei Xue, Tian-Le Cheng, Yinkai Lei, Richard P. Oleksak, You-Hai Wen

Fiber-reinforced ceramic matrix composites (CMCs) are used in structural components of gas turbines and fusion reactors due to their high toughness and ability to withstand ultra-high temperatures. The enhanced fracture toughness of CMCs arises from the complex interactions between mechanical damage and their microstructures that involve fiber bridging, fiber pull-out, crack deflection, and sliding at the fiber-matrix interfaces. However, there is a lack of microstructure-resolved models that enable direct simulation of these damage processes. This study introduces a phase-field model that explicitly accounts for microstructure-level cracking and interface sliding in CMCs. Simulations are performed to investigate the effects of fiber diameter, orientation, length, density, and interface sliding resistance. Fiber bridging and fiber pull-out are successfully simulated. In particular, the simulation results demonstrate the critical role of interface sliding in fiber bridging. Parametric studies suggest that thicker fibers, longer fibers, and lower interface sliding resistance can lead to enhanced performance of CMCs when fiber bridging dominates the damage processes. This model has demonstrated its capability to serve as a valuable tool for quantitative understanding of CMC damage processes and for guiding design of the microstructures for next-generation CMCs.

纤维增强陶瓷基复合材料(cmc)由于其高韧性和承受超高温的能力,被用于燃气轮机和聚变反应堆的结构部件。碳纤维材料断裂韧性的增强是由于力学损伤与微观结构之间复杂的相互作用,包括纤维桥接、纤维拉出、裂纹挠曲和纤维-基体界面的滑动。然而,缺乏能够直接模拟这些损伤过程的微观结构解析模型。本研究引入了一个相场模型,该模型明确地解释了cmc微结构级裂纹和界面滑动。通过仿真研究了纤维直径、取向、长度、密度和界面滑动阻力的影响。成功地模拟了光纤桥接和光纤拔出。特别地,仿真结果证明了界面滑动在光纤桥接中的关键作用。参数化研究表明,当纤维桥接主导损伤过程时,较粗的纤维、较长的纤维和较低的界面滑动阻力可以提高cmc的性能。该模型已被证明能够作为定量理解CMC损伤过程和指导下一代CMC微结构设计的有价值的工具。
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引用次数: 0
Flexible ultra-thin glass with low Young's modulus for foldable display 柔性超薄玻璃,低杨氏模量,可折叠显示
IF 3.8 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-11-24 DOI: 10.1111/jace.70395
Hoikwan Lee, Junyeub Lee, Sungwon Kim, Sangduk Lee, Yunyoung Lee, Jinwook Jang, Woon Jin Chung

Novel applications in the foldable electronics market require flexible substrates, notably ultra-thin glass (UTG). While conventional UTG is known for its high robustness and resilience, its brittle characteristics commonly lead to cracks, breakages and other field failures. This study introduces super-flexible and ion-exchangeable glass for foldable displays, achieved by lowering the Young's modulus of the glass. Effective reduction of Young's modulus from 72 to 53 GPa was achieved when SiO2 was substituted with B2O3 and P2O5. Indentation and two-point bending tests examined the bending characteristic of the glasses. The obtained low modulus glasses showed enhanced flexibility, including a high level of fracture toughness and resistance to flaw formation as well as decreased bending repulsive force, implying smaller folding radius. The enhanced flexibility of the glass, which makes it suitable for various foldable devices, was discussed based on structural changes induced by composition.

可折叠电子市场的新应用需要柔性基板,特别是超薄玻璃(UTG)。虽然传统UTG以其高鲁棒性和弹性而闻名,但其脆性特性通常会导致裂缝、破裂和其他现场故障。本研究介绍了用于可折叠显示器的超柔性和离子交换玻璃,通过降低玻璃的杨氏模量来实现。用B2O3和P2O5代替SiO2可有效地将杨氏模量从72降低到53 GPa。压痕和两点弯曲试验检验了玻璃的弯曲特性。获得的低模量玻璃显示出增强的柔韧性,包括高水平的断裂韧性和抗缺陷形成能力,以及降低的弯曲排斥力,这意味着更小的折叠半径。基于成分引起的结构变化,讨论了玻璃柔韧性的增强,使其适用于各种可折叠器件。
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引用次数: 0
Influence of particle size on high-temperature sintering behavior of barium titanate: Densification and grain growth 晶粒尺寸对钛酸钡高温烧结性能的影响:致密化和晶粒生长
IF 3.8 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-11-24 DOI: 10.1111/jace.70378
Jongbeom Lee

A systematic investigation was conducted on the densification and grain growth of 170 and 260 nm tetragonal BaTiO3 (BTO) powders during high-temperature sintering. Densification and grain growth were uniquely analyzed using Python-based computational modeling of dilatometer data and scanning electron microscopy (SEM), respectively. The findings revealed that the 260 nm powder exhibited higher activation energies for both densification and grain growth. While a high-fidelity master sintering curve (MSC) provided an excellent fit at lower temperatures (R2 > 0.99), its predictive capability diminished above 1200°C. This unprecedented observation was correlated with a decrease in the densification activation energy during the final sintering stage, which will be further discussed along with its link to prominent abnormal grain growth and the limitations of the MSC method.

对170 nm和260 nm四方BTO粉体在高温烧结过程中的致密化和晶粒生长进行了系统研究。利用基于python的膨胀仪数据计算模型和扫描电子显微镜(SEM)对致密化和晶粒生长进行了独特的分析。结果表明,260 nm粉体在致密化和晶粒生长方面均表现出较高的活化能。虽然高保真主烧结曲线(MSC)在较低温度下(R2 > 0.99)具有良好的拟合性,但其预测能力在1200°C以上下降。这一前所未有的观察结果与最终烧结阶段致密化活化能的下降有关,这将与突出的异常晶粒生长和MSC方法的局限性一起进一步讨论。
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引用次数: 0
Dislocation tuned flexoelectricity in single crystal SrTiO3 单晶SrTiO3的位错调谐挠性电
IF 3.8 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-11-24 DOI: 10.1111/jace.70362
Haoxuan Wang, Yifan Wang, Xin Zhang, Xu Liang, Shengping Shen

Flexoelectricity, an intrinsic electromechanical coupling phenomenon, has shown great potential in advanced ceramic. However, the typically low flexoelectric coefficients of bulk materials severely limit their practical applications, especially for single crystals. Surprisingly, recent advances have demonstrated that room-temperature dislocation engineering can effectively modulate functional properties. In this study, we employ the cyclic indentation method to introduce controlled surface dislocations into single-crystal SrTiO3 with (100), (110), and (111) orientations. Precise regulation of indentation cycles enables tunable flexoelectric coefficients with pronounced orientation dependence. Comprehensive characterization reveals a direct correlation between surface dislocation configurations and bulk flexoelectric response. These results demonstrate an effective and controllable strategy for the controlled modulation of flexoelectric properties in single crystals, providing a foundation for further development of high-performance flexoelectric-based novel electromechanical devices.

柔性电是一种固有的机电耦合现象,在先进陶瓷中显示出巨大的潜力。然而,块状材料典型的低挠曲电系数严重限制了它们的实际应用,特别是单晶。令人惊讶的是,最近的进展表明,室温位错工程可以有效地调节功能性质。在这项研究中,我们采用循环压痕方法引入(100),(110)和(111)取向的单晶SrTiO3的可控表面位错。压痕周期的精确调节使可调的挠曲电系数与明显的方向依赖。综合表征揭示了表面位错构型与体挠曲电响应之间的直接关系。这些结果为单晶柔韧电特性的可控调制提供了一种有效的可控策略,为进一步开发高性能的基于柔韧电的新型机电器件提供了基础。
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引用次数: 0
Ferroelectric properties of 10 nm BaTiO3 nanocubes synthesized by microwave synthesis procedure 微波合成10 nm纳米立方钛酸钡的铁电性能
IF 3.8 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-11-24 DOI: 10.1111/jace.70400
Eunmi Lee, Jong Yeog Son

We investigated the ferroelectric properties of 10 nm BaTiO3 (BTO) nanocubes formed by dispersing them on the surface of an Nb-doped SrTiO3 (Nb:STO) substrate. The microwave synthesis procedure produced BTO nanocubes with a size of approximately 10 nm, and the BTO nanocubes were dispersed in ethanol before being spin coated on the surface of the Nb:STO substrate. From the piezoelectric d33 hysteresis loops measured by a piezoresponse force microscope, it was confirmed that the 10 nm BTO nanocubes exhibited canonical ferroelectric properties. External voltages were applied to switch the polarization of the 10 nm BTO nanocubes, providing further evidence of their ferroelectric behavior. In particular, it was experimentally confirmed that the BTO nanocubes with a size of about 10 nm can be utilized as tunnel ferroelectric junction memory devices.

我们研究了分散在Nb掺杂SrTiO3 (Nb:STO)衬底表面形成的10纳米BTO纳米立方的铁电性能。微波合成工艺制备出尺寸约为10 nm的BTO纳米立方体,将BTO纳米立方体分散在乙醇中,然后将其自旋涂覆在Nb:STO衬底表面。从压电响应力显微镜测量的d33磁滞回线中,证实了10 nm BTO纳米立方具有典型的铁电性质。应用外部电压开关10 nm BTO纳米立方体的极化,进一步证明了它们的铁电行为。实验证实,尺寸约为10 nm的BTO纳米立方可以用作隧道铁电结存储器件。
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引用次数: 0
Scintillation responses of Eu2O3-doped lithium gallium silicate glass and glass ceramics 掺eu2o3的硅镓锂玻璃和玻璃陶瓷的闪烁响应
IF 3.8 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-11-24 DOI: 10.1111/jace.70389
Naoki Kawano, Kenji Shinozaki, Daisuke Nakauchi, Toshiaki Kunikata, Haruaki Ezawa, Keishi Yamabayashi, Shota Otake, Takayuki Yanagida

Glass ceramics have gained research attention for use in scintillator applications. In this work, Eu2O3-doped lithium gallium silicate glass and its glass ceramics were synthesized, and the luminescence characteristics were investigated. To fabricate glass ceramics, the Eu2O3-doped lithium gallium silicate glass was heated for 3 h at 740°C or 763°C. A transparent glass ceramic with a high transmittance of approximately 70% at 650 nm was obtained by the heat treatment at 740°C. Luminescence derived from the electronic transition of 4f→4f levels in Eu3+ ions appeared under visible light (530 nm) or X-ray. It was found that the scintillation intensity was improved due to the formation of crystalline phases in the silicate glass host matrix during the heat treatment at 740°C. According to the Judd–Ofelt theory, the Eu3+ luminescent ions might be present mainly in a glass phase of the transparent glass ceramic, and the enhancement of the scintillation intensity should be derived from the improvement of the energy transfer efficiency in the host matrix.

玻璃陶瓷在闪烁体中的应用已经引起了人们的关注。本文合成了eu2o3掺杂的硅酸镓锂玻璃及其玻璃陶瓷,并对其发光特性进行了研究。为了制备玻璃陶瓷,将eu2o3掺杂的锂镓硅酸盐玻璃在740°C或763°C加热3小时。经740℃热处理,得到了650 nm处透光率约为70%的透明玻璃陶瓷。在可见光(530 nm)或x射线下,Eu3+离子中4f→4f能级的电子跃迁产生发光。结果表明,在740℃热处理过程中,硅酸盐玻璃基体中形成了结晶相,从而提高了闪烁强度。根据Judd-Ofelt理论,Eu3+发光离子可能主要存在于透明玻璃陶瓷的玻璃相中,闪烁强度的增强应源于基体中能量传递效率的提高。
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引用次数: 0
Effects of dry and wet air oxidation on tensile properties of SiC/BN/SiC minicomposites 干湿空气氧化对SiC/BN/SiC复合材料拉伸性能的影响
IF 3.8 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-11-24 DOI: 10.1111/jace.70401
Shingo Kanazawa, Peter T. Maxwell, Frank W. Zok

This study investigates the effects of dry and wet air oxidation on the tensile behavior of unidirectional SiC/BN/SiC minicomposites, with a particular focus on how environmental conditions and pre-cracking influence strength retention and failure modes. The pristine minicomposites exhibit high strength and failure strain, attributed to effective fiber coatings and preservation of fiber strength throughout processing. Oxidation at 1000°C without pre-cracking in dry air causes only minor degradation and is associated with a transition from transverse matrix cracking with distributed fiber fracture to a shear-driven failure mode. In wet air, the same shear-driven mode occurs but with a significantly lower failure strain. The most severe degradation is observed when pre-cracking precedes oxidation; bonding between fibers and with the matrix eliminates interfacial sliding, resulting in a dramatic reduction in failure strain. The work identifies three distinct fracture regimes controlled by the interplay of fiber waviness, oxidation conditions, and mechanical loading history.

本研究探讨了干湿空气氧化对单向SiC/BN/SiC微型复合材料拉伸性能的影响,特别关注了环境条件和预裂对强度保持和破坏模式的影响。由于有效的纤维涂层和在整个加工过程中保持纤维强度,原始的微型复合材料具有高强度和失效应变。在干燥空气中,在1000°C下氧化而不发生预裂,只会导致轻微的降解,并且与横向基体开裂和分布纤维断裂过渡到剪切驱动的破坏模式有关。在湿空气中,同样发生剪切驱动模式,但破坏应变明显降低。当预裂先于氧化时,观察到最严重的降解;纤维之间以及与基体的结合消除了界面滑动,从而显著降低了失效应变。这项工作确定了三种不同的断裂模式,由纤维波纹度、氧化条件和机械载荷历史的相互作用控制。
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引用次数: 0
Effect of MgO/CaO on structure and Young's modulus of CMAS glasses: Experiments and molecular dynamics simulations MgO/CaO对CMAS玻璃结构和杨氏模量的影响:实验和分子动力学模拟
IF 3.8 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-11-24 DOI: 10.1111/jace.70409
Pengfei Xu, Zeyu Kang, Wenkai Gao, Lu Liu, Lulu Zhang, Yi Cao, Jie Li, Junbo Si, Shifu Shen, Junfeng Kang

The development of high-performance glass fibers for applications such as wind turbine blades demands materials with superior mechanical properties, particularly a high Young's modulus. To this end, the structure and Young's modulus of CaO‒MgO‒Al2O3‒SiO2 glasses with varying MgO/CaO ratios were investigated by experiments and molecular dynamics simulations in this study. It was observed that as the MgO/CaO ratio increased, the density of the glass samples gradually decreased, while the Young's modulus significantly increased. The trends of structural and performance changes derived from MD simulations were found to be in good agreement with experiments, revealing the underlying structural origin. Owing to the weaker charge-balancing capacity of Mg2+ compared to Ca2+, the formation of high coordinated aluminium ([AlO5]) and tri-coordinated oxygen (O[3]) is promoted with the replacement of CaO by MgO. This process strengthens the glass network by converting bridging oxygen (O[2]) into a combination of O[3] and non-bridging oxygen (O[1]). Furthermore, the distribution of O[3] among the five oxygen atoms within [AlO5] was examined. The [AlO5] unit containing two O[3] is the most possible form of existence. Most importantly, a strong linear correlation (R2 = 0.93) was identified between the concentration of [AlO5] and Young's modulus, establishing [AlO5] as a key structural descriptor for stiffness in these glasses.

用于风力涡轮机叶片等应用的高性能玻璃纤维的开发要求材料具有优异的机械性能,特别是高杨氏模量。为此,本研究通过实验和分子动力学模拟研究了不同MgO/CaO比的CaO - MgO - al2o3 - sio2玻璃的结构和杨氏模量。观察到,随着MgO/CaO比的增加,玻璃样品的密度逐渐降低,杨氏模量显著增加。MD模拟得到的结构和性能变化趋势与实验结果一致,揭示了潜在的结构起源。由于Mg2+的电荷平衡能力弱于Ca2+, MgO取代CaO促进了高配位铝([AlO5])和三配位氧(O[3])的形成。这个过程通过将桥接氧(O[2])转化为O[3]和非桥接氧(O[1])的组合来增强玻璃网络。进一步研究了[AlO5]中O[3]在5个氧原子中的分布。含有两个O[3]的[AlO5]单位是最可能的存在形式。最重要的是,在[AlO5]的浓度和杨氏模量之间发现了很强的线性相关性(R2 = 0.93),建立了[AlO5]作为这些玻璃中刚度的关键结构描述符。
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引用次数: 0
TBC-HybridNet: Confidence-guided multiscale fusion for thermal barrier coating microstructural segmentation TBC-HybridNet:信心引导的热障涂层显微结构分割的多尺度融合
IF 3.8 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-11-24 DOI: 10.1111/jace.70410
Tianmeng Huang, Ke Chen, Mengying Zhang, Hanchao Zhang, Huangyue Cai, Jie Lu, Lirong Luo, Xiao Shan, Jingyang Wang, Xiaofeng Zhao

Air-plasma-sprayed thermal barrier coating analysis faces three key challenges: informational complexity from overlapping defect morphologies, semantic ambiguity from gradient boundaries, and data scarcity from asymmetric feature distribution. Conventional segmentation approaches struggle particularly with distinguishing unmelted from melt-solidified regions. This research proposes TBC-HybridNet, a confidence-guided feature-fusion architecture combining the specialized UnmeltedSegNET with generic deep convolutional neural networks through hierarchical fusion. UnmeltedSegNET employs multiscale modules to extract contextual information, integrating large receptive fields for structural integrity with small receptive fields for edge preservation, outperforming human annotators with 97.8% accuracy in boundary detection. The framework implements a confidence-guided fusion strategy that dynamically adjusts model weights, addressing data imbalance while maintaining sensitivity to rare defects without computationally intensive retraining. The system achieves 97.9% accuracy for unmelted regions, 91.8% overall accuracy, and an 88.3% F1 score for cracks. It enables real-time quantification of critical quality metrics, including unmelted volume fraction and crack density. With 96.6% crack continuity detection and 71.1% unmelted boundary fidelity, these capabilities establish precise correlations between spray processes and microstructure, improving coating durability prediction in aerospace applications and directly impacting turbine engine performance and service life.

空气等离子喷涂热障涂层分析面临三个关键挑战:重叠缺陷形态带来的信息复杂性、梯度边界带来的语义模糊性以及不对称特征分布带来的数据稀缺性。传统的分割方法尤其难以区分未熔化区域和熔化固化区域。本研究提出了TBC-HybridNet,这是一种信心引导的特征融合架构,通过分层融合将专用UnmeltedSegNET与通用深度卷积神经网络相结合。UnmeltedSegNET采用多尺度模块提取上下文信息,将结构完整性的大接收场与边缘保存的小接收场集成在一起,在边界检测方面优于人类注释器,准确率为97.8%。该框架实现了一种以信心为导向的融合策略,该策略可以动态调整模型权重,解决数据不平衡问题,同时保持对罕见缺陷的敏感性,而无需进行密集的再训练。该系统对未熔化区域的准确率为97.9%,总体准确率为91.8%,对裂纹的F1评分为88.3%。它可以实时量化关键质量指标,包括未熔化体积分数和裂纹密度。该技术具有96.6%的裂纹连续性检测和71.1%的未熔化边界保真度,可以在喷涂工艺和微观结构之间建立精确的相关性,从而改善航空航天应用中的涂层耐久性预测,并直接影响涡轮发动机的性能和使用寿命。
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引用次数: 0
Ferroelectricity restoration via thermally driven recovery of surface damage layers in BiFeO3-based lead-free ceramics 基于bifeo3基无铅陶瓷表面损伤层热驱动恢复的铁电恢复
IF 3.8 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-11-24 DOI: 10.1111/jace.70379
Sangwook Kim, Hyunwook Nam, Hae In Choi

The effect of mechanically induced surface damage layers on the crystal structure and ferroelectric properties was systematically investigated in lead-free 0.99(0.67BiFeO3−0.33BaTiO3)−0.01BiMnO3 ceramics. The surface damage layer formed by mechanical polishing was identified through diffraction peak broadening, increased lattice strain, and reduced remanent polarization. The damage layer was eliminated by thermal annealing at 800°C, which resulted in sharp diffraction peaks, reduced lattice strain, and complete recovery of polarization. Structure refinement confirmed that Bi3⁺ off-centering was suppressed by polishing, whereas Bi3⁺ displacement and nanoscale domain activity were restored by annealing. Phase-field simulations revealed that the damage layer functioned as a ferroelectrically inactive region and that the recovery of Bi3⁺ off-centering was essential for polarization restoration. It was demonstrated that the degradation and recovery of ferroelectric properties in BiFeO3-based ceramics depended on the formation and relaxation of mechanically induced surface damage layers. These findings provide a clear processing–property relationship and establish a strategy to optimize the performance of lead-free piezoelectric ceramics for electronic and energy applications.

系统研究了机械诱导表面损伤层对无铅0.99(0.67BiFeO3−0.33BaTiO3)−0.01BiMnO3陶瓷晶体结构和铁电性能的影响。通过衍射峰展宽、晶格应变增大、残余极化减小,确定了机械抛光形成的表面损伤层。800℃热处理消除损伤层,衍射峰清晰,晶格应变减小,极化完全恢复。结构细化证实,抛光抑制了Bi3⁺偏离中心,而退火恢复了Bi3⁺的位移和纳米级结构域活性。相场模拟表明,损伤层作为铁电非活性区,Bi3 +偏离中心的恢复对于极化恢复至关重要。结果表明,bifeo3基陶瓷铁电性能的退化和恢复取决于机械诱导表面损伤层的形成和松弛。这些发现提供了一个明确的加工-性能关系,并建立了优化电子和能源应用无铅压电陶瓷性能的策略。
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引用次数: 0
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Journal of the American Ceramic Society
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