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The Influence of Particle Shape and Surface Roughness of Fine Aggregates on the Technological Properties of Glass-Fiber-Reinforced Thin-Layer Concrete. 细集料颗粒形状和表面粗糙度对玻璃纤维增强薄层混凝土工艺性能的影响。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-05 DOI: 10.3390/ma19010214
Ramune Zurauskiene, Asta Kičaitė, Rimvydas Moceikis

Various methods for classifying and evaluating the shape, size, and surface texture of sand particles are examined, highlighting their impact on concrete mixture properties. This study emphasizes the role of particle morphology in determining concrete workability and segregation, particularly in glass-fiber-reinforced (GRC) thin-layer concrete for building facade panels. The effects of different aggregate types on concrete workability and segregation are analyzed, showing that aggregates with spherical particles and a lower elongation index improve mixture consistency and reduce segregation. Three types of fine aggregates were used (instead of quartz sand in the mixtures, natural sand and granite screenings were chosen, which would be a sustainable alternative to quartz sand), and thin-layer glass-fiber-reinforced concrete using aggregates of different shapes was characterized by layering the mixture. The workability and segregation of fine-grained fiberglass-reinforced concrete mixtures depend on the aggregate particles' shape. Up to 50% of quartz sand can be replaced with granite siftings or natural sand, as measured by the segregation index, as calculated according to the method proposed in this paper. Increasing the amount of natural sand from 10% to 50% also increases the segregation index from 1.9 to 2.6, and when using granite sifting aggregates, it rises from 2.6 to 3.5. Aggregates with spherical particles are more suitable for this thin-layer GRC concrete, if we examine the consistency parameters of fresh concrete and the possibilities of working with it in real production conditions.

各种方法分类和评估的形状,大小和表面纹理的砂粒进行了检查,突出其对混凝土混合性能的影响。这项研究强调了颗粒形态在决定混凝土和易性和离析中的作用,特别是在用于建筑立面面板的玻璃纤维增强(GRC)薄层混凝土中。分析了不同骨料类型对混凝土和易性和偏析的影响,结果表明,颗粒呈球形且延伸指数较低的骨料提高了混合料的稠度,减少了偏析。使用了三种类型的细骨料(在混合物中选择天然砂和花岗岩筛网代替石英砂,这将是石英砂的可持续替代品),使用不同形状骨料的薄层玻璃纤维增强混凝土的特点是分层混合。细粒玻璃纤维增强混凝土混合料的和易性和离析取决于骨料颗粒的形状。根据本文提出的方法计算出的偏析指数,石英砂可被花岗岩筛分或天然砂替代50%以上。天然砂添加量从10%增加到50%,分选指数由1.9提高到2.6,花岗岩筛分骨料分选指数由2.6提高到3.5。如果我们检查新混凝土的一致性参数以及在实际生产条件下使用它的可能性,球形颗粒骨料更适合这种薄层GRC混凝土。
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引用次数: 0
Evaluation of Multiple Influences on the Unconfined Compressive Strength of Fibre-Reinforced Backfill Using a GWO-LGBM Model. 用GWO-LGBM模型评价纤维增强充填体无侧限抗压强度的多重影响
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-05 DOI: 10.3390/ma19010200
Xin Chen, Yunmin Wang, Shengjun Miao, Shian Zhang, Zhi Yu, Linfeng Du

Fibres can markedly enhance the uniaxial compressive strength (UCS) of cemented paste backfill (CPB). However, previous studies have mainly verified the effectiveness of polypropylene and straw fibres in improving the UCS of CPB experimentally, while systematic multi-factor evaluation remains limited. In this study, laboratory experiments were conducted on polypropylene- and straw fibre-reinforced CPB to construct a reliable dataset. The factors influencing the intensity of uniaxial compressive strength were divided into four aspects (mixture proportions, physical properties of the cement-tailings mixture, chemical characteristics of tailings, and fibre properties), and four intelligent models were developed for effectiveness analysis and UCS prediction. SHapley Additive exPlanations (SHAP) were employed to quantify the contributions of individual features, and the findings were experimentally validated. The GWO-LGBM model outperformed the SVR, ANN, and LGBM models, achieving R2 = 0.907, RMSE = 0.78, MAE = 0.515, and MAPE = 0.157 for the training set, and R2 = 0.949, RMSE = 0.627, MAE = 0.38, and MAPE = 0.115 for the testing set, respectively. Feature analysis reveals that mixture proportions contribute the most to UCS, followed by the tailings' physical properties, the fibre properties, and the tailings' chemical characteristics. This study found that cement content and tailings gradation control CPB structural compactness and fibres enhance bonding between hydration products and tailings aggregates, while the chemical composition of the tailings plays an inert role, functioning mainly as an aggregate.

纤维能显著提高胶结膏体充填体的单轴抗压强度。然而,以往的研究主要是通过实验验证了聚丙烯和秸秆纤维在改善CPB的UCS方面的有效性,系统的多因素评价仍然有限。为了构建可靠的数据集,本研究对聚丙烯纤维和秸秆纤维增强CPB进行了室内实验。将影响单轴抗压强度强度的因素分为混合料配比、水泥尾砂混合料物理性能、尾砂化学特性和纤维性能4个方面,建立了4个智能模型进行有效性分析和单轴抗压强度预测。采用SHapley加性解释(SHAP)来量化个体特征的贡献,并通过实验验证了研究结果。GWO-LGBM模型优于SVR、ANN和LGBM模型,训练集的R2 = 0.907, RMSE = 0.78, MAE = 0.515, MAPE = 0.157;测试集的R2 = 0.949, RMSE = 0.627, MAE = 0.38, MAPE = 0.115。特征分析表明,混合配比对尾砂单粒径的影响最大,其次是尾砂的物理性质、纤维性质和尾砂的化学性质。本研究发现水泥掺量和尾矿级配控制CPB结构密实度,纤维增强水化产物与尾矿骨料的粘结,而尾矿的化学成分起惰性作用,主要起到骨料的作用。
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引用次数: 0
Research Progress on Asphalt-Aggregate Adhesion Suffered from a Salt-Enriched Environment. 富盐环境下沥青-骨料黏附性能研究进展。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-05 DOI: 10.3390/ma19010192
Yue Liu, Wei Deng, Linwei Peng, Hao Lai, Youjie Zong, Mingfeng Chang, Rui Xiong

Salt permeation erosion is a key factor leading to the deterioration of service performance and shortening the lifespan of asphalt pavement in salt-rich areas. In this environment, the combined action of water and salt accelerates the decline in the asphalt-aggregate interface, leading to distress, such as raveling and loosening, which severely limit pavement durability. The authors systematically reviewed the research progress on asphalt-aggregate adhesion in a saline corrosion environment and discussed the complex mechanisms of adhesion degradation driven by intrinsic factors, including aggregate chemical properties, surface morphology, asphalt components, and polarity, as well as environmental factors, such as moisture, salt, and temperature. We also summarized multi-scale evaluation methods, including conventional macroscopic tests and molecular dynamics simulations, and revealed the damage evolution patterns caused by the coupled effects of water, salt, heat, and mechanical forces. Based on this, the effectiveness of technical approaches, such as asphalt modification and aggregate modification, is explored. Addressing the current insufficiency in research on asphalt adhesion under complex conditions in salt-rich areas, this study highlights the necessity for further research on mechanisms of multi-environment interactions, composite salt erosion simulation, development of novel anti-salt erosion materials, and intelligent monitoring and early warning, aiming to provide a theoretical basis and technical support for the weather-resistant design and long-term service of asphalt pavement in salt-rich regions.

盐渗透侵蚀是导致富盐地区沥青路面使用性能恶化、寿命缩短的关键因素。在这种环境下,水和盐的共同作用加速了沥青-骨料界面的下降,导致破坏,如松动和松动,严重限制了路面的耐久性。本文系统地综述了盐腐蚀环境下沥青-骨料黏附性能的研究进展,讨论了由骨料化学性质、表面形貌、沥青组分、极性等内在因素以及水分、盐、温度等环境因素驱动的黏附性能退化的复杂机制。总结了包括常规宏观试验和分子动力学模拟在内的多尺度评价方法,揭示了水、盐、热和机械力耦合作用下的损伤演化规律。在此基础上,探讨了沥青改性、骨料改性等技术途径的有效性。针对目前富盐地区复杂条件下沥青黏附研究的不足,本研究强调了在多环境相互作用机制、复合盐侵蚀模拟、新型抗盐侵蚀材料开发和智能监测预警等方面进行深入研究的必要性。旨在为富盐地区沥青路面的耐候性设计和长期使用提供理论依据和技术支持。
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引用次数: 0
Application of Machine Learning Models in Predicting Vibration Frequencies of Thin Variable Thickness Plates. 机器学习模型在变厚薄板振动频率预测中的应用。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-05 DOI: 10.3390/ma19010205
Łukasz Domagalski, Izabela Kowalczyk

This study investigates the application of machine learning (ML) techniques for predicting vibration frequencies of thin rectangular plates with variable thickness. Traditional optimization methods, such as genetic algorithms, require repeated solutions of the plate vibration eigenproblem using finite element (FE) analysis, which is computationally expensive. To reduce this cost, a surrogate model based on artificial neural networks (ANNs) is proposed as an efficient alternative. The dataset includes variations in plate geometry, boundary conditions, and thickness distribution, encoded numerically for model training. ANN architecture and hyperparameters-such as the number of hidden layers, neurons per layer, and activation functions-were systematically tuned to achieve high prediction accuracy while avoiding overfitting. Data preprocessing steps, including standardization and scaling, were applied to improve model stability. Performance was evaluated using metrics such as RMSE and R2. The results demonstrate that ANNs can accurately predict eigenvalues with significantly reduced computational effort compared to FE analysis. This approach offers a practical solution for integrating machine learning into structural optimization workflows.

本研究探讨了机器学习(ML)技术在预测变厚度矩形薄板振动频率中的应用。传统的优化方法,如遗传算法,需要使用有限元分析来重复求解板振动特征问题,计算量很大。为了降低这一成本,提出了一种基于人工神经网络(ann)的代理模型作为一种有效的替代方法。该数据集包括板的几何形状、边界条件和厚度分布的变化,并对模型训练进行了数字编码。人工神经网络架构和超参数(如隐藏层的数量、每层神经元的数量和激活函数)被系统地调整,以实现高预测精度,同时避免过拟合。采用数据预处理步骤,包括标准化和缩放,以提高模型的稳定性。使用RMSE和R2等指标评估性能。结果表明,与有限元分析相比,人工神经网络可以准确地预测特征值,大大减少了计算量。这种方法为将机器学习集成到结构优化工作流程中提供了一种实用的解决方案。
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引用次数: 0
A Review of Femtosecond Laser Processing for Sapphire. 蓝宝石飞秒激光加工研究进展。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-05 DOI: 10.3390/ma19010206
Chengxian Liang, Jiecai Feng, Hongfei Liu, Yanning Sun, Yilian Zhang, Yingzhong Tian

Sapphire (α-Al2O3) has been widely used in high-power lasers, optical windows, semiconductor substrates, radomes, and other applications due to its exceptional optical properties, high hardness, excellent chemical stability, and thermal resistance. However, machining sapphire poses significant challenges because of the material's high hardness and brittleness. Traditional mechanical and chemical-mechanical machine methods often fail to meet the processing requirements for micro and nanoscale structures. Recently, the use of femtosecond lasers-with ultra-short pulses and extremely high peak power-has allowed for the precise machining of sapphire with minimal thermal damage, a method akin to cold processing. Femtosecond laser processing offers significant advantages in fabricating three-dimensional micro- and nanoscale structures, surface and internal modification, optical waveguide writing, grating fabrication and dissimilar materials welding. Thus, this paper systematically reviewed the research progress in femtosecond laser processing of sapphire, covering technical approaches such as ablation, hybrid processing and direct writing micro- and nanoscale fabrication. The capability of femtosecond laser processing to modulate sapphire's optical properties, wettability and mechanical and chemical characteristics were discussed in detail. The current challenges related to efficiency, cost, process standardization and outlines future development directions, including high-power lasers, parallel processing, AI optimization and multifunctional integration were also analyzed.

蓝宝石(α-Al2O3)由于其优异的光学性能、高硬度、优异的化学稳定性和耐热性,已广泛应用于大功率激光器、光学窗口、半导体衬底、天线罩等领域。然而,由于蓝宝石材料的高硬度和脆性,加工蓝宝石面临着巨大的挑战。传统的机械和化学机械加工方法往往不能满足微纳米尺度结构的加工要求。最近,使用飞秒激光——具有超短脉冲和极高峰值功率——可以在最小热损伤的情况下精确加工蓝宝石,这是一种类似于冷加工的方法。飞秒激光加工在三维微纳米结构制造、表面和内部修饰、光波导书写、光栅制作和异种材料焊接等方面具有显著的优势。因此,本文系统地综述了飞秒激光加工蓝宝石的研究进展,包括烧蚀、混合加工和直写等技术途径。详细讨论了飞秒激光加工对蓝宝石光学性能、润湿性和机械化学特性的调制能力。分析了目前在效率、成本、工艺标准化等方面面临的挑战,并概述了未来的发展方向,包括高功率激光、并行加工、人工智能优化和多功能集成。
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引用次数: 0
Densification Behavior and Microstructure of Nickel Aluminum Bronze Alloy Fabricated by Laser Powder Bed Fusion. 激光粉末床熔合镍铝青铜合金致密化行为及显微组织
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-05 DOI: 10.3390/ma19010208
Yizhe Huang, Guanjun Fu, An Wang, Zhongxu Xiao, Jinfeng Sun, Jun Wang, Xiaojia Nie

Nickel-Aluminum-Bronze (NAB) has gained significant attention in marine applications due to its excellent corrosion resistance and has shown growing potential for laser powder bed fusion (L-PBF) additive manufacturing. However, research on the fabrication of NAB alloys using L-PBF remains relatively limited. In this study, fully dense NAB samples were successfully fabricated through L-PBF process parameter optimization. The microstructural evolution and mechanical properties of both as-built and annealed L-PBF samples were systematically investigated and compared with those of traditionally cast NAB. The results reveal that the as-built L-PBF specimens primarily consist of columnar β' grains, with the α phase distributed along the grain boundaries and a small amount of κ phase precipitated within the β' matrix, distinctly different from the cast microstructure characterized by a columnar α-phase matrix with precipitated β' and κ phases. After annealing at 675 °C for 6 h, the β' phase in both methods decomposed into α + κ phases, and the original columnar structure in the L-PBF specimens transformed into a dendritic morphology. Compared to the cast samples, the L-PBF-produced NAB alloy exhibited significantly enhanced yield strength, tensile strength, and microhardness, attributable to rapid solidification during the L-PBF process. Following annealing, the yield strength and elongation increased by 12.8% and 184.4%, respectively, compared to the as-built condition, resulting from the decomposition of the martensitic phase into α + κ phases and further grain refinement.

镍铝青铜(NAB)由于其优异的耐腐蚀性而在船舶应用中受到了极大的关注,并且在激光粉末床熔合(L-PBF)增材制造中显示出越来越大的潜力。然而,利用L-PBF制备NAB合金的研究仍然相对有限。本研究通过L-PBF工艺参数优化,成功制备了全致密NAB样品。系统地研究了铸态和退火后的L-PBF样品的组织演变和力学性能,并与传统铸造的NAB进行了比较。结果表明:构建的L-PBF试样主要由柱状β′晶粒组成,α相沿晶界分布,β′基体中有少量的κ相析出,这与铸态组织由柱状α′相基体析出β′和κ相组成明显不同。在675℃下退火6 h后,两种方法的β′相分解为α + κ相,L-PBF样品中原来的柱状结构转变为枝晶形态。与铸造样品相比,L-PBF制备的NAB合金的屈服强度、抗拉强度和显微硬度显著提高,这是由于L-PBF过程中的快速凝固。退火后,由于马氏体相分解为α + κ相,晶粒进一步细化,屈服强度和伸长率分别比原位提高了12.8%和184.4%。
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引用次数: 0
Modeling the Dynamics of Electric Field-Assisted Local Functionalization in Two-Dimensional Materials. 二维材料中电场辅助局部功能化的动力学建模。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-05 DOI: 10.3390/ma19010204
Fernando Borrás, Julio Ramiro-Bargueño, Óscar Casanova-Carvajal, Alicia de Andrés, Sergio J Quesada, Ángel Luis Álvarez

Electric field-assisted local functionalization of materials is a resist-free technique generally applied at the nanoscale, which has been understood within the paradigm of the water meniscus. Using a home-made prototype the authors applied this technique at scales compatible with the biosensor industry (tens of microns). However, interpreting these results requires a different paradigm. The expansion of the oxidized region over time in two-dimensional materials under a localized electric field is modeled from first physical principles. Boltzmann statistics is applied to the oxyanion incorporation at the perimeter of the oxidized zone, and a new general relation between oxide radius and time is formulated. It includes the reduction in the energy barrier due to the field effect and its dependence on the oxide radius. To gain insight into this dependence whatever the layers structure, 2D material involved, or electrical operating conditions, simple structures based on multilayer stacks representing the main constituents are proposed, where the Poisson equation is solved using finite element calculations. This enables to derive energy barriers for oxyanion incorporation at varying spot radii which are consistent with those resulting from fitting experimental data. The reasonable agreement obtained provides researchers with a new tool to predict the evolution of local functionalization of 2D layers as a function of the following fabrication parameters: time, applied voltage, and relative humidity, solely based on materials properties.

电场辅助材料局部功能化是一种普遍应用于纳米尺度的无电阻技术,在水半月板的范例中得到了理解。使用自制的原型,作者将这项技术应用于生物传感器工业的尺度(几十微米)。然而,解释这些结果需要一种不同的范式。从第一物理原理出发,对二维材料在局域电场作用下氧化区随时间的膨胀进行了建模。玻尔兹曼统计应用于氧化区周长的氧阴离子掺入,并建立了氧化半径与时间之间的新一般关系。它包括由于场效应引起的能量势垒的降低及其对氧化物半径的依赖。为了深入了解这种依赖性,无论层结构、涉及的二维材料或电气操作条件如何,都提出了基于代表主要成分的多层堆叠的简单结构,其中使用有限元计算求解泊松方程。这使我们能够在不同的点半径处推导出氧阴离子结合的能量势垒,这与拟合实验数据的结果一致。获得的合理一致性为研究人员提供了一种新的工具,可以预测二维层局部功能化的演变,作为以下制造参数的函数:时间,施加电压和相对湿度,仅基于材料性质。
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引用次数: 0
Numerical Simulation and Process Optimization of Sn-0.3Ag-0.7Cu Alloy Casting. Sn-0.3Ag-0.7Cu合金铸件的数值模拟及工艺优化。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-05 DOI: 10.3390/ma19010198
Hao Zhou, Yingwu Wang, Jianghua He, Chengchen Jin, Ayiqujin, Desheng Lei, Hui Fang, Kai Xiong

Porosity formation due to solidification shrinkage and inadequate liquid metal feeding during the casting of Sn-0.3Ag-0.7Cu (SAC0307) is a critical issue that impairs quality and subsequent processing. However, the opacity of the casting process often obscures the quantitative relationships between process parameters and defect formation, creating a significant barrier to science-based optimization. To address this, the present study utilizes finite element method (FEM) analysis to systematically investigate the influence of pouring temperature (PCT, 290-390 °C) and interfacial heat transfer coefficient (HTC, 900-5000 W/(m2·K)) on this phenomenon. The results reveal that PCT exerts a non-monotonic effect on porosity by modulating the solidification mode, which governs the accumulation of dispersed microporosity. In contrast, HTC plays a critical role in determining porosity morphology by controlling both the solidification rate and mode. Consequently, an optimal processing window was identified at 350 °C PCT and 3000 W/(m2·K) HTC, which significantly enhances interdendritic feeding and improves the ingot's internal soundness. The efficacy of these optimized parameters was experimentally validated through macro- and microstructural characterization. This work not only elucidates the governing mechanisms of solidification quality but also demonstrates the value of numerical simulation for process optimization, offering a reliable scientific basis for the industrial production of high-quality SAC0307 alloys.

在Sn-0.3Ag-0.7Cu (SAC0307)铸造过程中,由于凝固收缩和液态金属喂入不足而形成的孔隙是影响质量和后续加工的关键问题。然而,铸造过程的不透明性往往模糊了工艺参数与缺陷形成之间的定量关系,这对基于科学的优化造成了重大障碍。为了解决这一问题,本研究利用有限元法(FEM)分析系统地研究了浇注温度(PCT, 290-390°C)和界面传热系数(HTC, 900-5000 W/(m2·K))对这一现象的影响。结果表明:PCT通过调节凝固方式对孔隙率产生非单调效应,而凝固方式控制着分散微孔隙的积累;相反,HTC通过控制凝固速率和模态,在决定孔隙形态方面起着关键作用。因此,在350°C PCT和3000 W/(m2·K) HTC下确定了最佳加工窗口,该窗口显著提高了枝晶间进补,改善了铸锭的内部稳定性。通过宏观和微观结构表征验证了优化参数的有效性。本研究不仅阐明了凝固质量的控制机理,而且证明了数值模拟对工艺优化的价值,为高质量SAC0307合金的工业化生产提供了可靠的科学依据。
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引用次数: 0
Influence of Coupled Activated Recycled Fine Powder on the Performance of Ultra-High-Performance Concrete. 耦合活化再生细粉对超高性能混凝土性能的影响。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-05 DOI: 10.3390/ma19010201
Chun Lu, Ming Zhang, Nirmal Shrestha, Dongdong Yang, Chengxiao Yu

Ultra-High-Performance Concrete (UHPC) is being increasingly utilized in major engineering projects due to its excellent mechanical properties, strong durability, and superior overall performance. Nevertheless, the widespread use of premium cementitious materials leads to high expenses and a substantial environmental impact. In this work, crushed recycled paste was calcined at 600 °C for two hours to produce calcined recycled fine powder (RFP) with varying hydration reactivity. UHPC was produced using the RFP in place of some of the cement. Chemical activation was accomplished by adding a composite activator system made up of Ca(OH)2, Na2SO4, Na2SiO3·9H2O, and K2SO4 in order to further improve the performance of UHPC. Particle size, viscosity, fluidity, mechanical properties, and hydration products were analyzed to establish the best activator type and dosage, as well as the ideal activation procedure for recycled fine powder. By mass replacement of cementitious materials, when 15.0% of the calcined recycled fine powder was added, the compressive strength of UHPC reached 149.1 MPa, a 23.2% increase over reference UHPC without calcined recycled fine powder. The results show that the calcined recycled fine powder ground for 60 min exhibits the highest activity. More hydrated products were formed in UHPC as a result of the addition of Ca(OH)2. The compressive strength peaked at 162.2 MPa at an incorporation rate of 1.5%, which is 8.8% higher than UHPC without an activator.

超高性能混凝土(UHPC)由于其优异的机械性能、耐久性和优异的综合性能,在重大工程项目中得到越来越多的应用。然而,优质胶凝材料的广泛使用导致了高昂的费用和巨大的环境影响。在本研究中,将粉碎的再生浆料在600℃下煅烧2小时,得到具有不同水化反应活性的煅烧再生细粉(RFP)。UHPC是用RFP代替部分水泥生产的。通过添加由Ca(OH)2、Na2SO4、Na2SiO3·9H2O和K2SO4组成的复合活化剂体系进行化学活化,进一步提高了UHPC的性能。对再生细粉的粒径、粘度、流动性、力学性能和水化产物进行了分析,确定了最佳活化剂的种类和用量,以及理想的活化程序。通过大量替换胶凝材料,当煅烧再生细粉添加量为15.0%时,UHPC的抗压强度达到149.1 MPa,比未煅烧再生细粉的参考UHPC提高了23.2%。结果表明,再生细粉煅烧60 min后活性最高。由于Ca(OH)2的加入,UHPC中形成了更多的水合产物。当掺入率为1.5%时,UHPC的抗压强度达到162.2 MPa,比未掺入活化剂的UHPC提高8.8%。
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引用次数: 0
Accelerating High-Entropy Alloy Design via Machine Learning: Predicting Yield Strength from Composition. 通过机器学习加速高熵合金设计:从成分预测屈服强度。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-05 DOI: 10.3390/ma19010196
Seungtae Lee, Seok Su Sohn, Hae-Seok Lee, Donghwan Kim, Yoonmook Kang

High-entropy alloys (HEAs) have attracted significant attention due to their exceptional physical, chemical, and mechanical properties. The current development of HEAs primarily depends on time-consuming and costly trial-and-error approaches, which not only hinder the efficient exploration of new compositions but also result in unnecessary resource and energy consumption, thereby negatively affecting sustainable development and production. To address this challenge, this study introduces a machine learning-based methodology for predicting the yield strengths of various HEA compositions. The model was trained using 181 data points and achieved an R2 performance score of 0.85. To further assess its reliability and generalization capability, the model was validated using external data not included in the collected dataset. The validation was performed across four categories: modified Cantor alloys, refractory HEAs, eutectic HEAs, and other HEAs. The predicted yield strength trends were found to align with the actual experimental trends, demonstrating the model's robust performance across various categories of HEAs. The proposed machine learning approach is expected to facilitate the combinatorial design of HEAs, thereby enabling efficient optimization of compositions and accelerating the development of novel alloys. Moreover, it has the potential to serve as a guideline for sustainable alloy design and environmentally conscious production in future HEA development.

高熵合金(HEAs)由于其优异的物理、化学和力学性能而备受关注。目前HEAs的开发主要依赖于耗时和昂贵的试错方法,这不仅阻碍了新成分的有效探索,而且导致不必要的资源和能源消耗,从而对可持续发展和生产产生负面影响。为了解决这一挑战,本研究引入了一种基于机器学习的方法来预测各种HEA组合物的屈服强度。该模型使用181个数据点进行训练,R2性能得分为0.85。为了进一步评估其可靠性和泛化能力,使用未包含在收集数据集中的外部数据对模型进行验证。对四种类型的HEAs进行了验证:改性Cantor合金、难熔HEAs、共晶HEAs和其他HEAs。预测的屈服强度趋势与实际实验趋势一致,证明了该模型在不同类别HEAs中的稳健性能。提出的机器学习方法有望促进HEAs的组合设计,从而实现有效的成分优化和加速新型合金的开发。此外,它有可能成为未来HEA发展中可持续合金设计和环保生产的指导方针。
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引用次数: 0
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Materials
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