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Machine learning-driven design of refractory high-entropy alloys with high performance of hardness and corrosion resistance 机器学习驱动的高硬度耐蚀高熵合金设计
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-23 DOI: 10.1016/j.matdes.2026.115548
Tao Wu , Ruiquan Wang , Guang Chen , Yajun Yin , Yanbin Shen , Changxin Lei , Huayong Zhao
Refractory high-entropy alloys (RHEAs) show great promise for extreme environments, but their development is hindered by the vast compositional space and the challenge of balancing multiple properties. This study presents an integrated machine learning (ML) framework for the efficient design of RHEAs for achieving both high hardness and excellent corrosion resistance. A comprehensive dataset was constructed, and multitask learning with tree-based ensemble algorithms was employed to develop predictive models for hardness, corrosion potential (Ecorr), and corrosion current density (Icorr). The models are trained for a narrowly defined Nb-Mo-Ta-W-V compositional space. Data from 36 publications were processed, with Ecorr cleaned systematically and Icorr purified electrochemically, yielding final datasets of 157(hardness), 93(Ecorr), and 187(Icorr) entries. Shapley additive explanations (SHAP) analysis revealed key descriptors, such as the d-electron concentration, average electronegativity, average melting point, and mixing entropy for hardness and the difference in the atomic size (δr) and electronegativity (Δχ) for corrosion resistance. The optimized models demonstrated high predictive accuracy (R2 was 0.91 for hardness and 0.83 for Ecorr and Icorr). Three novel RHEAs were designed and experimentally validated, the results revealed excellent agreement between the predicted and measured properties, with accuracies > 85 %. This work presents a robust ML-driven paradigm for multiobjective optimization of RHEAs.
耐火高熵合金(RHEAs)在极端环境中显示出巨大的前景,但其发展受到巨大的成分空间和平衡多种性能的挑战的阻碍。本研究提出了一个集成的机器学习(ML)框架,用于高效设计RHEAs,以实现高硬度和优异的耐腐蚀性。构建了一个全面的数据集,并采用基于树的集成算法的多任务学习来建立硬度、腐蚀电位(Ecorr)和腐蚀电流密度(Icorr)的预测模型。这些模型是针对狭义的Nb-Mo-Ta-W-V组合空间进行训练的。对来自36份出版物的数据进行了处理,对Ecorr进行了系统清洗,并对Icorr进行了电化学纯化,最终数据集包括157(硬度)、93(Ecorr)和187(Icorr)条目。Shapley加性解释(SHAP)分析揭示了硬度的关键描述符,如d-电子浓度、平均电负性、平均熔点和混合熵,以及耐腐蚀性的原子尺寸(δr)和电负性(Δχ)的差异。优化后的模型具有较高的预测精度(硬度R2为0.91,Ecorr和Icorr R2为0.83)。设计了三种新型的RHEAs并进行了实验验证,结果表明,预测和测量的性质非常吻合,精度为85%。这项工作提出了一个强大的机器学习驱动的多目标优化RHEAs范例。
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引用次数: 0
The mechanism of natural age-strengthening of grey cast iron: PEC-ageing 灰口铸铁的自然时效强化机制:pec时效
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-23 DOI: 10.1016/j.matdes.2026.115536
Juan Manuel Bello Bermejo , Jesús Carrero Robles , Huaiyu Chen , Megan O. Hill Landberg , Jesper Wallentin , Johan Hektor , Lena Magnusson Åberg , Henrik Borgström , Filip Lenrick
In this work we introduce the concept of natural ageing via precipitation arising from eutectic cell structure (PEC-ageing). Natural age-strengthening in grey cast iron at room temperature is long recognised yet still poorly understood, despite its beneficial effect on tensile strength and machinability. We investigate its underlying mechanisms by comparing fresh and naturally aged industrial grey cast iron using high-resolution synchrotron Wide-Angle X-ray Scattering (WAXS), complemented by scanning electron microscopy and X-ray energy-dispersive spectroscopy. A strict sample-preparation process was designed to minimize artificial ageing and X-ray attenuation artefacts. We present direct experimental evidence of an X-ray diffraction peak that forms upon natural ageing in grey cast iron. Based on its position in reciprocal space, a plausible candidate for this peak is the iron nitride phase FeX4N. Spatially resolved analysis further shows that this phase is strongly localised along eutectic cell boundaries, supporting a nitride-related, boundary-mediated precipitation mechanism (PEC-ageing) as the main driver of the ageing phenomenon. These results provide a spatially resolved description of natural ageing in grey cast iron, establish WAXS as a powerful tool to track ageing-related changes in the bulk, and highlight that logistics and sample preparation remain the main practical challenges for future in-situ studies.
在这项工作中,我们引入了由共晶细胞结构引起的沉淀自然老化的概念(pec -老化)。尽管灰口铸铁在室温下的自然时效强化对抗拉强度和可加工性有有益的影响,但人们早就认识到这一点,但对它的了解仍然很少。我们利用高分辨率同步加速器广角x射线散射(WAXS),辅以扫描电子显微镜和x射线能量色散光谱,比较新鲜和自然老化的工业灰铸铁,研究其潜在机制。设计了严格的样品制备工艺,以尽量减少人工老化和x射线衰减伪影。我们提出了一个x射线衍射峰,形成在灰铸铁自然老化的直接实验证据。根据其在互反空间中的位置,这个峰的合理候选是氮化铁相FeX4N。空间分辨分析进一步表明,该相在共晶细胞边界强烈局部化,支持与氮化物相关的边界介导沉淀机制(pec -时效)是老化现象的主要驱动因素。这些结果提供了灰铸铁自然老化的空间解析描述,建立了WAXS作为跟踪体积老化相关变化的强大工具,并强调物流和样品制备仍然是未来原位研究的主要实际挑战。
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引用次数: 0
A multi-fidelity active learning framework for accelerated alloy design 加速合金设计的多保真主动学习框架
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-22 DOI: 10.1016/j.matdes.2026.115520
Mohd Aqib, Kopparthi Ravikiran, Leijun Li, Vinay Prasad
Machine learning (ML) driven methodologies are more efficient than traditional trial-and-error-based materials design; however, extensive training datasets are required for their development. To overcome this challenge, we developed a multifidelity active learning (MFAL) framework that significantly improves optimization efficiency compared to typical evolutionary methods. This framework strategically balances the computational effort between high- and low-fidelity evaluations, thereby reducing experimental burden while effectively guiding the search towards optimal compositions. MFAL was applied to high-entropy alloy (HEA) design, enabling the discovery of compositions that approach the theoretical minimum coefficient of thermal expansion (CTE). The optimized composition was efficiently identified, validating the developed framework as robust and scalable. The quantitative study shows that the MFAL framework achieved near-optimal convergence in around 75 iterations, using only 55–65% costly high-fidelity evaluations, in contrast to single-fidelity methods that needed 100% high-fidelity assessments. Compared to trial-and-error approaches, MFAL delivers five-fold improvement in optimization speed while requiring 40% fewer high-fidelity evaluations than conventional methods. It demonstrates optimization of experimental/computational resources by strategically focusing expensive evaluations on the most promising compositional areas. MFAL has the potential for rapid development of next-generation alloys with customized properties and insights into composition-property relationships.
机器学习(ML)驱动的方法比传统的基于试错的材料设计更有效;然而,它们的发展需要广泛的训练数据集。为了克服这一挑战,我们开发了一个多保真主动学习(MFAL)框架,与典型的进化方法相比,该框架显著提高了优化效率。该框架战略性地平衡了高保真度和低保真度评估之间的计算工作量,从而减少了实验负担,同时有效地指导了对最佳组合的搜索。将MFAL应用于高熵合金(HEA)设计,可以发现接近理论最小热膨胀系数(CTE)的成分。优化后的组合被有效地识别,验证了开发的框架具有鲁棒性和可扩展性。定量研究表明,与需要100%高保真度评估的单保真度方法相比,MFAL框架在大约75次迭代中实现了接近最优的收敛,仅使用55-65%的昂贵高保真度评估。与试错法相比,MFAL的优化速度提高了5倍,同时需要的高保真度评估比传统方法减少了40%。它通过战略性地将昂贵的评估集中在最有前途的组成领域,展示了实验/计算资源的优化。MFAL具有快速开发具有定制性能和洞察成分-性能关系的下一代合金的潜力。
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引用次数: 0
Unveiling the anticorrosion potential of MXenes heterostructures via chloride-ion barrier effect: A first-principles study 通过氯离子势垒效应揭示MXenes异质结构的防腐潜力:第一性原理研究
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-20 DOI: 10.1016/j.matdes.2026.115527
Xiang Xiao , Jiangtao Gong , Yanli Yin , Zhanyong Song , Xinyuan Zhou , Helong Yu
Electrochemcial/Chemical corrosion to metallic materials can significantly accelerate structural failure, shorten service life, and reduce durability of equipment, thus causing enormous economic losses and significant safety risks to marine economy and military applications. Constructing anticorrosion coatings on metallic substrate surface is considered a practicable strategy to prevent direct contact between the valuable metallic components and corrosive medias. Due to high surface area and ultrathin thickness, the two-dimensional nanomaterial family offers exceptional barrier properties against corrosive agents. In this article, detailed first-principles calculations were employed to investigate the potential application of the bilayer-stacked Ti3C2 MXenes heterostructures with graphene, h-BN, and MoS2 as anticorrosion coating materials. Lattice mismatch, cell deformation, structural integrity, electronic redistribution, and anticorrosion performance of the bilayer-stacked heterostructures were investigated. The constructed heterostructures show low lattice mismatch ratios, minimum cell deformation, positive interfacial binding energies with enhanced energy stability and excellent thermal stability. The h-BN-stacked MXenes heterostructures demonstrate prominent capacities in adsorbing the target corrosive agent and restricting its free movement, supported by elevated binding energies and migration energy barriers. Our research provides a concrete guidance on how to effectively enhance the anticorrosion performance of the Ti3C2 MXenes and expands the application prospects of 2D heterostructures.
金属材料的电化学/化学腐蚀会显著加速结构失效,缩短设备的使用寿命,降低设备的耐久性,给海洋经济和军事应用带来巨大的经济损失和重大的安全风险。在金属基体表面涂覆防腐蚀涂层被认为是防止有价金属成分与腐蚀介质直接接触的一种可行策略。由于高表面积和超薄厚度,二维纳米材料家族提供了对腐蚀剂的特殊屏障性能。本文通过第一性原理计算,研究了以石墨烯、氢化氮化硼和二硫化钼作为防腐涂层材料的双层堆叠ti3c2mxenes异质结构的潜在应用。研究了双层堆叠异质结构的晶格失配、胞体变形、结构完整性、电子重分布和防腐性能。所构建的异质结构具有低的晶格错配率,最小的细胞变形,正的界面结合能,增强的能量稳定性和优异的热稳定性。在高结合能和迁移能垒的支持下,h- bn堆叠的MXenes异质结构具有显著的吸附目标腐蚀剂和限制其自由移动的能力。本研究为如何有效提高ti3c2mxenes的防腐性能提供了具体指导,拓展了二维异质结构的应用前景。
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引用次数: 0
Stress evolution during three-dimensional dynamic growth of thermal barrier coatings under isothermal cyclic field 等温循环场下热障涂层三维动态生长过程中的应力演化
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-20 DOI: 10.1016/j.matdes.2026.115523
Bing Wang , Cong Yu , Chenglong Guan , Xin Zhang , Zhanwen Xu , Shuncong Zhong
Thermal barrier coatings (TBCs) are essential for thermal insulation and oxidation protection in turbine engines, yet their failure due to micro-cracking and spallation remains a critical challenge. This failure is primarily driven by complex internal stresses arising from thermal expansion mismatch, dynamic growth of the thermally grown oxide (TGO) layer, and inherent microstructural defects. While prior research has offered insight, prevailing two-dimensional models often overlook the dynamic nature of TGO evolution and the three-dimensional complexity of pore networks, limiting a holistic understanding of stress mechanisms. Here, we have developed a three-dimensional finite element model to investigate stress evolution under isothermal cycling, incorporating dynamic TGO growth, material creep, diverse 3D pore morphologies, and pore-interface roughness interactions. Results show that TGO growth progressively elevates interfacial stresses, while creep provides critical relaxation. The presence of pores significantly amplifies stress magnitudes, with morphology and orientation critically influencing local concentrations. Furthermore, a strong non-linear coupling exists between interface roughness and pores, where their combined effect peaks at a specific roughness ratio. These findings elucidate the complex, multi-factor failure mechanisms in TBCs and provide guidelines for designing more durable coating systems.
热障涂层(tbc)对于涡轮发动机的隔热和氧化保护至关重要,但由于微裂纹和剥落而导致的失效仍然是一个关键挑战。这种失效主要是由热膨胀失配引起的复杂内应力、热生长氧化物(TGO)层的动态生长以及固有的微观结构缺陷引起的。虽然之前的研究提供了一些见解,但主流的二维模型往往忽略了TGO演化的动态性和孔隙网络的三维复杂性,限制了对应力机制的整体理解。在这里,我们开发了一个三维有限元模型来研究等温循环下的应力演化,包括动态TGO生长、材料蠕变、不同的三维孔隙形态和孔隙-界面粗糙度相互作用。结果表明,TGO的生长逐渐提高了界面应力,而蠕变则提供了临界松弛。孔隙的存在显著地放大了应力大小,其形态和取向对局部浓度有关键影响。此外,界面粗糙度与孔隙之间存在强烈的非线性耦合,其综合效应在特定的粗糙度比下达到峰值。这些发现阐明了tbc中复杂的多因素失效机制,并为设计更耐用的涂层系统提供了指导。
{"title":"Stress evolution during three-dimensional dynamic growth of thermal barrier coatings under isothermal cyclic field","authors":"Bing Wang ,&nbsp;Cong Yu ,&nbsp;Chenglong Guan ,&nbsp;Xin Zhang ,&nbsp;Zhanwen Xu ,&nbsp;Shuncong Zhong","doi":"10.1016/j.matdes.2026.115523","DOIUrl":"10.1016/j.matdes.2026.115523","url":null,"abstract":"<div><div>Thermal barrier coatings (TBCs) are essential for thermal insulation and oxidation protection in turbine engines, yet their failure due to micro-cracking and spallation remains a critical challenge. This failure is primarily driven by complex internal stresses arising from thermal expansion mismatch, dynamic growth of the thermally grown oxide (TGO) layer, and inherent microstructural defects. While prior research has offered insight, prevailing two-dimensional models often overlook the dynamic nature of TGO evolution and the three-dimensional complexity of pore networks, limiting a holistic understanding of stress mechanisms. Here, we have developed a three-dimensional finite element model to investigate stress evolution under isothermal cycling, incorporating dynamic TGO growth, material creep, diverse 3D pore morphologies, and pore-interface roughness interactions. Results show that TGO growth progressively elevates interfacial stresses, while creep provides critical relaxation. The presence of pores significantly amplifies stress magnitudes, with morphology and orientation critically influencing local concentrations. Furthermore, a strong non-linear coupling exists between interface roughness and pores, where their combined effect peaks at a specific roughness ratio. These findings elucidate the complex, multi-factor failure mechanisms in TBCs and provide guidelines for designing more durable coating systems.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"262 ","pages":"Article 115523"},"PeriodicalIF":7.9,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035248","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
High-throughput prepared Pd-Ag-Ni ternary alloy thin films for room-temperature highly sensitive hydrogen sensing 高通量制备用于室温高灵敏氢传感的钯银镍三元合金薄膜
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-19 DOI: 10.1016/j.matdes.2026.115519
Xiaobo Fan , Xiangfei Yang , Chen Chen , Zi Wang , Mei Zu , Wenhua Luo , Haifeng Cheng
Alloying palladium with low-cost metals is an effective approach to enhancing the properties of Pd-based films. This study employs high-throughput co-sputtering to fabricate a library of single-phase FCC Pd-Ag-Ni ternary alloy films, systematically investigating their microstructure, electrical properties, hydrogenation stability, and room-temperature hydrogen sensing performance. The effect of composition on physicochemical properties was mapped across the ternary space. A promising composition (Pd50.1Ag22.4Ni22.5) was rapidly identified, exhibiting a response close to 3% to 5% H2 at room temperature with robust mechanical stability. This work not only offers a promising candidate material system but also reveals a feasible route for synergistically optimizing performance through ternary alloying, demonstrating its potential for application in resistive hydrogen sensors.
钯与低成本金属合金化是提高钯基薄膜性能的有效途径。本研究采用高通量共溅射技术制备了单相FCC Pd-Ag-Ni三元合金薄膜库,系统地研究了其微观结构、电学性能、加氢稳定性和室温氢传感性能。组成对物理化学性质的影响被映射到整个三元空间。一种有前途的组成(Pd50.1Ag22.4Ni22.5)在室温下表现出接近3%至5% H2的响应,具有良好的机械稳定性。这项工作不仅提供了一个有前途的候选材料体系,而且揭示了通过三元合金协同优化性能的可行途径,展示了其在电阻式氢传感器中的应用潜力。
{"title":"High-throughput prepared Pd-Ag-Ni ternary alloy thin films for room-temperature highly sensitive hydrogen sensing","authors":"Xiaobo Fan ,&nbsp;Xiangfei Yang ,&nbsp;Chen Chen ,&nbsp;Zi Wang ,&nbsp;Mei Zu ,&nbsp;Wenhua Luo ,&nbsp;Haifeng Cheng","doi":"10.1016/j.matdes.2026.115519","DOIUrl":"10.1016/j.matdes.2026.115519","url":null,"abstract":"<div><div>Alloying palladium with low-cost metals is an effective approach to enhancing the properties of Pd-based films. This study employs high-throughput co-sputtering to fabricate a library of single-phase FCC Pd-Ag-Ni ternary alloy films, systematically investigating their microstructure, electrical properties, hydrogenation stability, and room-temperature hydrogen sensing performance. The effect of composition on physicochemical properties was mapped across the ternary space. A promising composition (Pd<sub>50.1</sub>Ag<sub>22.4</sub>Ni<sub>22.5</sub>) was rapidly identified, exhibiting a response close to 3% to 5% H<sub>2</sub> at room temperature with robust mechanical stability. This work not only offers a promising candidate material system but also reveals a feasible route for synergistically optimizing performance through ternary alloying, demonstrating its potential for application in resistive hydrogen sensors.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"262 ","pages":"Article 115519"},"PeriodicalIF":7.9,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Improved performance of Ni-Co secondary hardening steels through rapid thermal processing 通过快速热处理提高了镍钴二次硬化钢的性能
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-19 DOI: 10.1016/j.matdes.2026.115491
M.C. Rupinen , C.R. Zaragosa , H.A. Murdoch , D.J. Magagnosc , D.M. Field
Demand for high strength, high toughness secondary hardening steels has led to high alloy compositions that often require long tempering times and cryogenic treatments, leading to high costs and low throughput. Rapid tempering has demonstrated improved Charpy impact energy in low-alloy steels compared to traditional isothermal tempering while maintaining hardness. This work aims to explore rapid tempering as a method to improve toughness in a secondary hardening Ni-Co steel while maintaining similar hardnesses to isothermal tempering. Hardness and Charpy impact testing were conducted on isothermal and rapid tempered conditions. Rapid tempering achieved the highest Charpy energy (59 J) but a lower hardness relative to the peak 8-hour isothermal temper. Subsequently, two-step rapid heat treatments were designed, consisting of rapid heating to just above the Ac1, quenching, and then rapid tempering. These led to a 40 % increase in toughness (49 vs 34 J) at the same hardness (∼493 HV) or a ∼ 30 HV increase in hardness (518 vs 493 HV) while maintaining the same toughness (∼34 J) when compared to the peak-aged isothermal condition. The mechanism behind these improved properties is attributed to carbide refinement and accelerated austenite reversion and nucleation leading to a reduction in the effective grain size.
对高强度、高韧性二次硬化钢的需求导致高合金成分,通常需要长时间回火和低温处理,从而导致高成本和低产量。与传统的等温回火相比,快速回火在保持硬度的同时提高了低合金钢的夏比冲击能。这项工作的目的是探索快速回火作为一种方法,以提高韧性的二次硬化镍钴钢,同时保持相似的硬度等温回火。在等温和快速回火条件下进行硬度和夏比冲击试验。快速回火获得了最高的夏比能(59 J),但硬度相对于8小时等温回火的峰值较低。随后,设计了两步快速热处理,包括快速加热到Ac1以上,淬火,然后快速回火。这些导致在相同硬度(~ 493 HV)下韧性增加40% (49 vs 34 J)或硬度增加~ 30 HV (518 vs 493 HV),同时与峰时效等温条件相比保持相同的韧性(~ 34 J)。这些性能改善的机制归因于碳化物的细化和加速奥氏体的逆转和形核,导致有效晶粒尺寸的减小。
{"title":"Improved performance of Ni-Co secondary hardening steels through rapid thermal processing","authors":"M.C. Rupinen ,&nbsp;C.R. Zaragosa ,&nbsp;H.A. Murdoch ,&nbsp;D.J. Magagnosc ,&nbsp;D.M. Field","doi":"10.1016/j.matdes.2026.115491","DOIUrl":"10.1016/j.matdes.2026.115491","url":null,"abstract":"<div><div>Demand for high strength, high toughness secondary hardening steels has led to high alloy compositions that often require long tempering times and cryogenic treatments, leading to high costs and low throughput. Rapid tempering has demonstrated improved Charpy impact energy in low-alloy steels compared to traditional isothermal tempering while maintaining hardness. This work aims to explore rapid tempering as a method to improve toughness in a secondary hardening Ni-Co steel while maintaining similar hardnesses to isothermal tempering. Hardness and Charpy impact testing were conducted on isothermal and rapid tempered conditions. Rapid tempering achieved the highest Charpy energy (59 J) but a lower hardness relative to the peak 8-hour isothermal temper. Subsequently, two-step rapid heat treatments were designed, consisting of rapid heating to just above the A<sub>c1,</sub> quenching, and then rapid tempering. These led to a 40 % increase in toughness (49 vs 34 J) at the same hardness (∼493 HV) or a ∼ 30 HV increase in hardness (518 vs 493 HV) while maintaining the same toughness (∼34 J) when compared to the peak-aged isothermal condition. The mechanism behind these improved properties is attributed to carbide refinement and accelerated austenite reversion and nucleation leading to a reduction in the effective grain size.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"262 ","pages":"Article 115491"},"PeriodicalIF":7.9,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Macrophage membrane encapsulated with manganese doped ZIF-8 loaded quercetin alleviates acute lung injury 锰掺杂ZIF-8负载槲皮素包被巨噬细胞膜可减轻急性肺损伤
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-19 DOI: 10.1016/j.matdes.2026.115518
Jing Jiang , Jie Sun , Lu Zhu , Yingzhi Zhou , Chunhua Ma , Xuemei Li
The mechanism of acute lung injury (ALI) is unclear and its treatment method is unsatisfactory. The aim of this study was to investigate the effects of macrophage membrane encapsulated manganese doped ZIF-8 (Mn@ZIF-8) loaded quercetin (Qu) to form M@Mn@ZIF-8@Qu on ALI. Mn@ZIF-8 was prepared by one-step method and combined with Qu to form M@Mn@ZIF-8@Qu, and macrophage membrane encapsulated Mn@ZIF-8@Qu to form M@Mn@ZIF-8@Qu by extrusion method. Lung tissues from control and ALI mice were used for RNA sequencing for the mechanism of M@Mn@ZIF-8@Qu ALI. The cercal ligation and puncture (CLP) model in vivo and lipopolysaccharide (LPS) models were used to evaluate the effects of M@Mn@ZIF-8@Qu on ALI. M@Mn@ZIF-8@Qu was successfully prepared and verified its good biocompatibility. Transmission electron microscope (TEM), potential and particle size and fourier transform infrared spectrometer (FT-IR) analysis showed that the construction of M@Mn@ZIF-8@Qu was successful has an encapsulation efficiency of 72.39 ± 3.87 % and a drug loading efficiency of 59.42 ± 3.28 %.
The results of RNA-Seq showed Yes associated protein (YAP) was significantly decreased in lung tissues of ALI mice. It was also found that inhibition of YAP, the level of NLRP3 was significantly decreased. M@Mn@ZIF-8@Qu significantly alleviated ALI by inhibition the YAP/ NLRP3 signaling pathway.
In conclusion, M@Mn@ZIF-8@Qu was successfully prepared for treating ALI. This study provides a new target and treatment for ALI.
急性肺损伤(ALI)的发病机制尚不清楚,治疗方法也不尽人意。本研究的目的是研究巨噬细胞膜包被锰掺杂ZIF-8 (Mn@ZIF-8)负载槲皮素(Qu)形成M@Mn@ZIF-8@Qu对ALI的影响。一步法制得Mn@ZIF-8与Qu结合形成M@Mn@ZIF-8@Qu,巨噬细胞膜挤压法制得Mn@ZIF-8@Qu包裹形成M@Mn@ZIF-8@Qu。采用对照和ALI小鼠肺组织进行RNA测序,研究M@Mn@ZIF-8@Qu ALI的发病机制。采用体内宫颈结扎穿刺(CLP)模型和脂多糖(LPS)模型评价M@Mn@ZIF-8@Qu对ALI的影响。成功制备了M@Mn@ZIF-8@Qu,并验证了其良好的生物相容性。透射电镜(TEM)、电势、粒径及傅里叶变换红外光谱仪(FT-IR)分析表明,M@Mn@ZIF-8@Qu的包封效率为72.39±3.87%,载药效率为59.42±3.28%。RNA-Seq结果显示,ALI小鼠肺组织中Yes相关蛋白(YAP)显著降低。同时发现,抑制YAP后,NLRP3水平明显降低。M@Mn@ZIF-8@Qu通过抑制YAP/ NLRP3信号通路显著缓解ALI。总之,M@Mn@ZIF-8@Qu是治疗ALI的成功准备。本研究为ALI的治疗提供了新的靶点和治疗方法。
{"title":"Macrophage membrane encapsulated with manganese doped ZIF-8 loaded quercetin alleviates acute lung injury","authors":"Jing Jiang ,&nbsp;Jie Sun ,&nbsp;Lu Zhu ,&nbsp;Yingzhi Zhou ,&nbsp;Chunhua Ma ,&nbsp;Xuemei Li","doi":"10.1016/j.matdes.2026.115518","DOIUrl":"10.1016/j.matdes.2026.115518","url":null,"abstract":"<div><div>The mechanism of acute lung injury (ALI) is unclear and its treatment method is unsatisfactory. The aim of this study was to investigate the effects of macrophage membrane encapsulated manganese doped ZIF-8 (Mn@ZIF-8) loaded quercetin (Qu) to form M@Mn@ZIF-8@Qu on ALI. Mn@ZIF-8 was prepared by one-step method and combined with Qu to form M@Mn@ZIF-8@Qu, and macrophage membrane encapsulated Mn@ZIF-8@Qu to form M@Mn@ZIF-8@Qu by extrusion method. Lung tissues from control and ALI mice were used for RNA sequencing for the mechanism of M@Mn@ZIF-8@Qu ALI. The cercal ligation and puncture (CLP) model <em>in vivo</em> and lipopolysaccharide (LPS) models were used to evaluate the effects of M@Mn@ZIF-8@Qu on ALI. M@Mn@ZIF-8@Qu was successfully prepared and verified its good biocompatibility. Transmission electron microscope (TEM), potential and particle size and fourier transform infrared spectrometer (FT-IR) analysis showed that the construction of M@Mn@ZIF-8@Qu was successful has an encapsulation efficiency of 72.39 ± 3.87 % and a drug loading efficiency of 59.42 ± 3.28 %.</div><div>The results of RNA-Seq showed Yes associated protein (YAP) was significantly decreased in lung tissues of ALI mice. It was also found that inhibition of YAP, the level of NLRP3 was significantly decreased. M@Mn@ZIF-8@Qu significantly alleviated ALI by inhibition the YAP/ NLRP3 signaling pathway.</div><div>In conclusion, M@Mn@ZIF-8@Qu was successfully prepared for treating ALI. This study provides a new target and treatment for ALI.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"262 ","pages":"Article 115518"},"PeriodicalIF":7.9,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035250","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 post-weld heat treatment on microstructure and hydrogen embrittlement of stir zone of friction stir welded 2xxx aluminum-alloy joints 焊后热处理对2xxx铝合金搅拌摩擦焊接接头搅拌区组织及氢脆的影响
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-19 DOI: 10.1016/j.matdes.2026.115517
Xiaogang Li , Junfeng Nie , Yong Liu , Xu Zhang , Haiquan Zhang
Stir zone was weakest constituent of friction stir welded (FSW) aluminum-alloy joints, however, hydrogen embrittlement on the isolated stir zone has not been clarified. Here, effect of post-weld heat treatment (PWHT) on the microstructure and hydrogen embrittlement of the stir zone of FSW 2xxx aluminum-alloy joints is investigated by electrochemical hydrogen charging, tensile tests and advanced micro-characterization methods. Samples of stir zones extracted from the as-welded FSW joint and PWHT FSW joint are labeled sample A and sample B, respectively. Pristine sample A contains very few θ precipitates. PWHT causes abundant θ′ phase re-precipitation in sample B, following a (0 0 1)θ′//(0 01 )α-Al and [1 0 0]θ′//[1 0 0]α-Al orientation relationship. After PWHT, the tensile strength of stir zone could be increased by 9%, accompanied by the decrease in the plasticity, which is attributed to the dislocation movement obstruction and dislocation accumulation caused by θ′ phases. Notably, hydrogen embrittlement sensitivity index by tensile strength was 13.9% for sample B, much higher than that for sample A because of θ′ phase re-precipitation in the stir zone. Abundant θ′ precipitates in sample B obstruct dislocation movement, cause dislocation pile-ups, and function as hydrogen-trap sites enabling hydrogen-atom accumulation, leading to significant hydrogen embrittlement failure triggered by hydrogen-enhanced local plasticity.
搅拌区是搅拌摩擦焊铝合金接头中最弱的组成部分,但对搅拌区氢脆的研究尚不明确。通过电化学充氢、拉伸试验和先进的微观表征方法,研究了焊后热处理对fsw2xxx铝合金接头搅拌区微观组织和氢脆的影响。从焊接状态FSW接头和PWHT FSW接头中提取的搅拌区样品分别标记为样品A和样品B。原始样品A含有很少的θ沉淀。PWHT导致样品B中大量的θ′相再沉淀,遵循(0 01)θ′//(0 01)α-Al和[1 0 0]θ′//[1 0 0]α-Al取向关系。PWHT后,搅拌区的抗拉强度可提高9%,但塑性下降,这是由于θ′相阻碍位错运动和位错积累所致。值得注意的是,试样B的抗拉强度氢脆敏感性指数为13.9%,远高于试样A,原因是搅拌区θ′相的再析出。样品B中大量的θ′沉淀阻碍了位错的运动,导致位错堆积,并作为氢原子聚集的氢阱位点,导致氢增强的局部塑性引发明显的氢脆破坏。
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引用次数: 0
Porous nHA/PA66 Scaffolds: Synergistic research on material structure Breakthroughs and bone repair in vivo 多孔nHA/PA66支架:材料结构突破与体内骨修复的协同研究
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-17 DOI: 10.1016/j.matdes.2026.115479
Caiping Yan , Chao Xiang , Yuanyuan Yi , Xingkuan Wang , Changgong Deng , Jiangguang Zhang , Ke Jiang , Lu Chen , Yuling Li
To address the issues of poor pore connectivity and insufficient bone ingrowth in the clinical application of current nHA/PA66 bone graft materials. In this study, nHA:PA66 composites with ratios of 5:5, 6:4, and 7:3 were prepared by melt precipitation, and the optimal ratio was identified using characterisation techniques. Furthermore, four different pore sizes of nHA/PA66 scaffolds were fabricated using the Arburg Plastic Freeforming (APF) technology. The biocompatibility, mechanical properties, and oxygen exchange efficiency of these scaffolds were then evaluated. Then, the porous scaffold was implanted into the rabbit femoral condyle bone defect model, and the osteogenic efficacy was evaluated through Micro-CT, histological, and mechanical. The results indicate that nHA/PA66 (6:4) has high crystallinity, excellent thermal stability, and optimal mechanical properties. Animal experiments have shown that the 400 μm group nHA/PA66 scaffold is superior to other groups in terms of new bone tissue volume and material-bone bonding strength. We believe that nHA/PA66 (6:4), combined with 3D printing technology, can produce optimised porous scaffolds that exhibit optimal osteogenic properties and mechanical adaptability at a pore size of 400 μm. These research findings will provide a basis for promoting the clinical transformation and application of nHA/PA66 porous scaffolds.
针对目前nHA/PA66骨移植材料在临床应用中存在的孔连通性差、骨长入不足等问题。本研究采用熔融沉淀法制备了比例为5:5、6:4和7:3的nHA:PA66复合材料,并利用表征技术确定了最佳配比。此外,采用Arburg Plastic Freeforming (APF)技术制备了4种不同孔径的nHA/PA66支架。然后对这些支架的生物相容性、力学性能和氧交换效率进行了评价。然后将多孔支架植入兔股骨髁骨缺损模型,通过Micro-CT、组织学、力学等评价其成骨效果。结果表明,nHA/PA66(6:4)结晶度高,热稳定性好,力学性能最佳。动物实验表明,400 μm组nHA/PA66支架在新生骨组织体积和材料-骨结合强度方面优于其他组。我们认为,nHA/PA66(6:4)与3D打印技术相结合,可以在孔径为400 μm时,生产出具有最佳成骨性能和机械适应性的优化多孔支架。这些研究结果将为促进nHA/PA66多孔支架的临床转化和应用提供依据。
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