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Magnetotransport and Magneto-Thermoelectric Properties of the Nodel-Line Semimetal SnTaS2. 模型线半金属SnTaS2的磁输运和磁热电性质
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-30 DOI: 10.3390/ma19030556
Long Ma, Hao Tian, Xiaojian Wu, Dong Chen

Topological semimetals with nontrivial band structures host a variety of unconventional transport phenomena and have attracted significant attention in condensed matter physics. SnTaS2, a recently proposed topological nodal-line superconductor with a centrosymmetric layered structure, provides an ideal platform to explore the interplay between topology and electronic transport. Here, we report a comprehensive study of the normal-state magnetotransport and magneto-thermoelectric properties of SnTaS2 single crystals. We observed large magnetoresistance and nonlinear Hall resistivity at low temperatures, which can be well described by a two-band model, indicating the coexistence of electron and hole carriers. The Seebeck and Nernst coefficients were found to exhibit pronounced and nonmonotonic magnetic field dependences at low temperatures, consistent with multiband transport behavior. Moreover, clear quantum oscillations with a single frequency are detected in both electrical and thermoelectric measurements. Analysis of the oscillations reveals a small effective mass and a nontrivial Berry phase, suggesting that the corresponding Fermi surface arises from a topologically nontrivial band. These findings shed light on the normal-state electronic structure of SnTaS2 and highlight the important role of topological bands in shaping its transport properties.

具有非平凡带结构的拓扑半金属具有多种非常规输运现象,在凝聚态物理中引起了广泛的关注。SnTaS2是最近提出的具有中心对称层状结构的拓扑节点线超导体,为探索拓扑与电子输运之间的相互作用提供了理想的平台。在这里,我们报道了SnTaS2单晶的正常状态磁输运和磁热电性质的全面研究。我们观察到低温下的大磁阻和非线性霍尔电阻率,这可以用双带模型很好地描述,表明电子和空穴载流子共存。塞贝克系数和能斯特系数在低温下表现出明显的非单调磁场依赖性,与多带输运行为一致。此外,在电学和热电测量中都可以检测到单频的清晰量子振荡。对振荡的分析揭示了一个小的有效质量和一个非平凡的贝里相,这表明相应的费米表面产生于一个拓扑上的非平凡带。这些发现揭示了SnTaS2的正常状态电子结构,并强调了拓扑带在塑造其输运性质中的重要作用。
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引用次数: 0
Synthesis, Properties and Application of Novel 2-Substituted Benzothiazole-Based Oxime Esters. 新型2-取代苯并噻唑肟酯的合成、性质及应用。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-30 DOI: 10.3390/ma19030558
Monika Dzwonkowska-Zarzycka, Alicja Balcerak-Woźniak, Janina Kabatc-Borcz

The paper focuses on the synthesis and characterization of the spectroscopic and electrochemical properties of novel oxime esters. Six benzothiazole-based compounds were synthesized using a simple three-step procedure. The chemical structure of novel oxime esters was confirmed by Nuclear Magnetic Resonance spectroscopy (1H and 13C NMR), as well as FT-IR spectroscopy and elemental analysis. The melting point of these compounds was also determined. The spectroscopic properties were studied in 10 solvents with different polarity. The fluorescence quantum yield was determined using Coumarin I as a reference. Additionally, the E0→0 transition energy was determined. The electrochemical properties were determined using cyclic voltammetry. To justify their use as potential photoinitiators, preliminary studies were conducted to assess their utility in initiating light-induced polymerization. Based on the results, the proposed oxime esters are potential Type I photoinitiators for free radical polymerization.

本文主要研究了新型肟酯的合成及其光谱和电化学性质的表征。采用简单的三步法合成了六种苯并噻唑类化合物。通过核磁共振波谱(1H和13C NMR)、红外光谱(FT-IR)和元素分析证实了新型肟酯的化学结构。还测定了这些化合物的熔点。研究了其在10种不同极性溶剂中的光谱性质。以香豆素I为参比物测定荧光量子产率。测定了E0→0跃迁能。用循环伏安法测定了其电化学性能。为了证明它们作为潜在光引发剂的用途,进行了初步研究,以评估它们在引发光诱导聚合方面的效用。基于这些结果,所提出的肟酯是潜在的自由基聚合的I型光引发剂。
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引用次数: 0
Effect of Gd Alloying on Magnetic Properties of Direct-Quenched Fe-Gd-B Nanocrystalline Alloys. Gd合金化对直淬Fe-Gd-B纳米晶合金磁性能的影响。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-30 DOI: 10.3390/ma19030561
Linli Wang, Yuanyuan Wang, Zhongao Wang, Ming Nie, Feng Huang, Wangyan Lv, Huameng Fu, Haifeng Zhang, Zhengwang Zhu

Nanocrystalline Fe-Gd-B alloys were successfully synthesized via Gd alloying in a binary Fe-B system using a single-roller melt-spinning technique. A systematic investigation of Gd content variation (0-4.35 at.%) reveals its critical role in tuning microstructure evolution, thermal stability, and magnetic properties. Crucially, the Fe90.70Gd2.32B6.98 alloy ribbon exhibits optimized magnetic performance, achieving a high saturation magnetic induction (Bs) of 1.67 T and a low coercivity (Hc) of 2.737 kA/m. This enhancement is attributed to the suppression α-Fe grain growth through Gd-induced elevation of the thermal stability of the amorphous matrix, which confines the average crystallite size to 26.3 nm. The refined α-Fe phase contributes to elevated Bs through an increased ferromagnetic fraction, while its nanoscale grain structure, combined with wide magnetic domain configurations, effectively reduces Hc by limiting domain wall pinning sites. These findings establish that the synergistic effect of Gd alloying and Fe/B ratio adjustment is a viable strategy for designing high-performance Fe-based magnetic alloys.

采用单辊熔融纺丝技术,在二元Fe-B体系中通过Gd合金化制备了Fe-Gd-B纳米晶合金。Gd含量变化(0-4.35 at)的系统调查。%)揭示了它在调整微观结构演变、热稳定性和磁性能方面的关键作用。最重要的是,Fe90.70Gd2.32B6.98合金带具有最佳的磁性能,饱和磁感应强度(Bs)高达1.67 T,矫顽力(Hc)低至2.737 kA/m。这种增强是由于gd诱导的非晶基体热稳定性的提高抑制了α-Fe晶粒的生长,将平均晶粒尺寸限制在26.3 nm。细化的α-Fe相通过增加铁磁分数来提高Bs,而其纳米级晶粒结构结合宽磁畴构型,通过限制畴壁钉钉位点有效降低Hc。这些结果表明,Gd合金化和Fe/B比率调整的协同效应是设计高性能铁基磁性合金的可行策略。
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引用次数: 0
Prediction of the Time-Dependent Elastic Modulus of Fly-Ash Concrete Under Sustained Loads. 持续荷载作用下粉煤灰混凝土弹性模量随时间变化的预测。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-30 DOI: 10.3390/ma19030559
Zhuoran Chen, Minghui Liu, Yurong Zhang, Siyi Jia

In this paper, the time-dependent properties of the elastic modulus of fly ash concrete under sustained compressive load were studied. An experiment was conducted and showed an increment of elastic modulus for two types of fly ash concrete (20% and 40% fly ash replacement) under sustained load. The mechanisms of this increment were analyzed, and two Representative Volume Elements (RVEs) were established to represent the micro-heterogeneous space of binder and concrete based on continuum mechanics. The shrinking core models of hydration and pozzolanic reaction were adopted to quantify the volume fraction of each phase within the binder RVE. A prediction model was proposed by incorporating the effects of extra hydration and time-dependent aggregate concentration rate under sustained load. Finally, parameter analysis including the influences of initial loading age and the loading level was conducted.

本文研究了粉煤灰混凝土弹性模量在持续压缩载荷作用下的随时间变化特性。试验结果表明,在持续荷载作用下,掺加20%和40%粉煤灰的两种混凝土的弹性模量均有所增加。分析了这种增量的机理,并基于连续介质力学建立了两个代表体积元(Representative Volume Elements, RVEs)来表示粘结剂与混凝土的微观非均质空间。采用水化收缩核模型和火山灰反应收缩核模型对粘结剂RVE内各相的体积分数进行量化。结合额外水化作用和随时间变化的骨料浓度率,建立了持续荷载作用下的预测模型。最后,对初始加载龄期和加载水平的影响进行了参数分析。
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引用次数: 0
Mechanical Properties of Biochar-Sulfur Composites. 生物炭-硫复合材料的力学性能。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-30 DOI: 10.3390/ma19030549
Ewa Syguła, Monika Słupska, Maja Radziemska, Andrzej Białowiec

The study examines the mechanical strength of sulfur-biochar composites (SBCs), an underexplored area with potential for developing robust materials. Sulfur production, primarily from specialized extraction and waste generation in petroleum refining, yields about 70 million tons annually, necessitating efficient waste management. SBCs were produced using waste-derived biochar and elemental sulfur at varying sulfur contents (60-80%) and employing two fabrication methods: a muffle furnace and an electric burner. The mechanical performance of the composites was evaluated through strength and displacement measurements, with particular emphasis on the influence of processing method and sulfur content. The results demonstrate that both sulfur content and fabrication method significantly affect the mechanical behavior of SBCs. An increase in sulfur content led to a systematic improvement in ultimate strength for all samples. However, composites produced using the electric burner exhibited markedly higher ultimate forces and lower displacements compared to those fabricated in the muffle furnace, indicating superior strength and reduced brittleness. The enhanced performance is attributed to improved sulfur distribution and more effective infiltration of liquid sulfur into the porous biochar structure. These findings confirm the synergistic effect of combining sulfur with biochar and highlight the critical role of processing conditions in developing mechanically robust sulfur-biochar composites suitable for sustainable material applications.

该研究考察了硫-生物炭复合材料(sbc)的机械强度,这是一个尚未开发的领域,具有开发坚固材料的潜力。硫磺生产,主要来自石油炼制的专门提取和产生的废物,每年产生约7 000万吨,需要有效的废物管理。sbc是用不同含硫量(60-80%)的废物衍生生物炭和单质硫生产的,采用两种制造方法:马弗炉和电燃烧器。通过强度和位移测量评估了复合材料的力学性能,特别强调了加工方法和硫含量的影响。结果表明,硫含量和制备方法对sbc的力学行为有显著影响。硫含量的增加导致所有样品的极限强度有系统的提高。然而,与在马弗炉中制造的复合材料相比,使用电燃烧器生产的复合材料表现出更高的极限力和更低的位移,表明了更高的强度和更低的脆性。性能的增强是由于硫分布的改善和液体硫更有效地渗透到多孔生物炭结构中。这些发现证实了硫与生物炭结合的协同效应,并强调了加工条件在开发适合可持续材料应用的机械坚固的硫-生物炭复合材料中的关键作用。
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引用次数: 0
Evaluation of the Relationship Between Fracture Toughness and Hydrogen-Induced Damage in X70 Line Pipe Steel for Low-Temperature Service. 低温用X70管线钢断裂韧性与氢致损伤关系的评价
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-30 DOI: 10.3390/ma19030552
Reza Khatib Zadeh Davani, Enyinnaya George Ohaeri, Sandeep Yadav, Ehsan Entezari, Jerzy A Szpunar, Michael J Gaudet, Muhammad Rashid

In this study, X70 line pipe steels were subjected to different hot rolling treatments under three conditions with varying roughing (R) and finishing (F) reductions while maintaining the same total reduction to investigate the effect on drop weight tear test (DWTT) toughness and hydrogen-induced damage as assessed through electrochemical charging. Scanning Electron Microscope (SEM) images were used to analyze microstructure phases and their volume fractions, while Electron Backscatter Diffraction (EBSD) provided quantitative microscopy, and X-ray analysis examined crystallographic texture. Although all steels exhibited similar microstructure phases, the effective grain size and morphology varied slightly across the thickness. As these variations were minor, the focus shifted to other microstructural features such as textural characteristics. Overall, the steel with the medium R/F reduction demonstrated improved DWTT performance and greater hydrogen cracking and blistering resistance. This was attributed to stronger Transformed Brass (TBr) and Transformed Copper (TC) components, weaker Rotated-Cube (RC) texture, and lower Kernel Average Misorientation (KAM) values. Across the three steels in this work, this study demonstrates that increased fraction of blocky austenite/martensite as secondary phases, high geometrically necessary dislocation (GND) density, and RC texture negatively affect both DWTT and hydrogen damage resistance, whereas gamma (γ)-fiber and {332}<113> textures have positive effects. Improving these metallurgical factors can therefore boost toughness and reduce hydrogen-induced damage in line-pipe steels.

在本研究中,X70管线钢在三种不同的条件下进行不同的热轧处理,在保持相同的总还原量的情况下,不同的粗加工(R)和精加工(F),以研究通过电化学充电评估的跌落重量撕裂试验(DWTT)韧性和氢致损伤的影响。扫描电镜(SEM)图像分析微观结构相及其体积分数,电子背散射衍射(EBSD)提供定量显微镜,x射线分析检查晶体织构。尽管所有钢都表现出相似的显微组织相,但有效晶粒尺寸和形貌在厚度上略有不同。由于这些变化是次要的,焦点转移到其他微观结构特征,如纹理特征。总体而言,具有中等R/F降低的钢表现出改善的DWTT性能和更大的氢裂和抗泡性。这是由于变形黄铜(TBr)和变形铜(TC)成分较强,旋转立方体(RC)织构较弱,核平均取向偏差(KAM)值较低。在本研究的三种钢中,本研究表明,块状奥氏体/马氏体作为次级相的比例增加,几何必要位错(GND)密度高,RC织构对DWTT和抗氢损伤都有负面影响,而γ (γ)纤维和{332}织构有积极影响。因此,改善这些冶金因素可以提高线管钢的韧性,减少氢致损伤。
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引用次数: 0
Challenges and Practices in the Analysis of Silicon Kerf from the PV Industry by Combinatorial Analytical Methods. 用组合分析法分析光伏产业硅屑的挑战与实践
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-29 DOI: 10.3390/ma19030541
Tinotenda Mubaiwa, Marisa Di Sabatino, Sergey Khromov, Marthe Nybrodahl, Alexander Azarov, Jafar Safarian

Exploitation of waste streams has gained prominence not only in sustainable use of resources but also as a potential source of raw materials. Silicon kerf is one such waste stream and its recycling has been quite topical in recent years. In the present study, the characterization of different industrial kerf samples was carried out using several techniques. The average metallic impurity concentration was approximately 400 ppmw with average particle size (D50) of 3.5 µm and surface area of approximately 33 m2/g. The inhomogeneity of kerf was shown to pose challenges like potential isotope interferences during analysis as well as being susceptible to high uncertainties and relative standard deviation (RSD). Remedies and best practices were recommended for successful characterization of such inhomogeneous materials.

废物流的开发不仅在资源的可持续利用方面,而且作为原材料的潜在来源也得到了突出的重视。硅屑就是其中一种废弃物,其回收利用近年来备受关注。在本研究中,使用几种技术对不同工业切口样品进行了表征。平均金属杂质浓度约为400 ppmw,平均粒径(D50)为3.5µm,表面积约为33 m2/g。刻痕的不均匀性给分析过程带来了潜在的同位素干扰以及高不确定性和相对标准偏差(RSD)等挑战。为成功表征这种非均质材料,推荐了补救措施和最佳做法。
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引用次数: 0
Selective Gold Recovery from Waste Electronics: A Speciation-Based Recycling Approach. 从废弃电子产品中选择性回收黄金:一种基于物种的回收方法。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-29 DOI: 10.3390/ma19030538
Jan Karl Ormuž, Irena Žmak, Lidija Ćurković

Waste electrical and electronic equipment (WEEE) is a rapidly growing waste stream rich in precious metals, with gold in particular being concentrated in printed circuit boards and other high-value components. Historically, industrial recycling has relied on pyrometallurgy and non-selective hydrometallurgical leaching. These recovery routes have major drawbacks, including high energy demand, corrosion, the use of toxic reagents, and the complexity of pregnant leach solutions, which complicate downstream gold recovery. This review aims to synthesize recent advances in selective gold recovery from WEEE using a speciation-driven approach. Mechanical pretreatment and physical beneficiation methods are critically assessed as processes for concentrating gold and reducing the amount of material sent to downstream hydrometallurgical leaching. Different lixiviants, from conventional cyanide to halide-based, as well as greener chemistries such as thiosulfate and thiourea, are assessed for gold dissolution from the WEEE stream. Assessment of different extraction methods, including sorbents, ion exchange resins, solvent/ionic liquid, direct reduction/precipitation, and electrochemical recovery, is conducted. The review concludes with guidelines for potential process integration and highlights the need for scalable, reusable lixiviants and sorbent materials validated under realistic multi-metal conditions in real WEEE leachate.

废弃电气和电子设备(WEEE)是一种迅速增长的富含贵金属的废物流,其中黄金尤其集中在印刷电路板和其他高价值部件中。历史上,工业回收依赖于火法冶金和非选择性湿法冶金浸出。这些回收路线有很大的缺点,包括能源需求高、腐蚀、使用有毒试剂,以及浸出液的复杂性,这些都使下游的金回收变得复杂。本文综述了利用物种驱动方法从报废电子电气设备中选择性回收黄金的最新进展。机械预处理和物理选矿方法被严格评估为富集金和减少送往下游湿法冶金浸出的物料量的过程。评估了不同的浸出剂,从传统的氰化物到卤化物,以及更环保的化学物质,如硫代硫酸盐和硫脲,对WEEE流中的金溶解进行了评估。评估了不同的提取方法,包括吸附剂、离子交换树脂、溶剂/离子液体、直接还原/沉淀和电化学回收。该综述总结了潜在工艺集成的指导方针,并强调了在实际WEEE渗滤液中经过实际多金属条件验证的可扩展、可重复使用的浸出剂和吸附材料的需求。
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引用次数: 0
Steel Slag-Enhanced Cement-Stabilized Recycled Aggregate Bases: Mechanical Performance and PINN-Based Sulfate Diffusion Prediction. 钢渣增强水泥稳定再生骨料基:力学性能和基于ppin的硫酸盐扩散预测。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-29 DOI: 10.3390/ma19030546
Guodong Zeng, Hao Li, Yuyuan Deng, Xuancang Wang, Yang Fang, Haoxiang Liu

The application of cement-stabilized recycled aggregate (CSR) in pavement bases is constrained by the high porosity and low strength of recycled aggregate (RA), whereas sulfate transport and durability mechanisms are less reported. To address this issue, this study incorporated high-strength and potentially reactive steel slag aggregate (SSA) into CSR to develop steel slag-enhanced cement-stabilized recycled aggregate (CSRS). The mechanical performance of the mixtures was evaluated through unconfined compressive strength (UCS) and indirect tensile strength (ITS) tests, and their durability was assessed using thermal shrinkage and sulfate resistance tests. In addition, a sulfate prediction model based on a physics-informed neural network (PINN) was developed. The results showed that, compared with CSR, the 7-day and 28-day UCS of CSRS increased by 6.7% and 16.0%, respectively, and the ITS increased by 4.3% and 5.9%. Thermal shrinkage tests indicated that CSR and CSRS, incorporating RA and SSA, exhibited slightly higher thermal shrinkage strain than cement-stabilized natural aggregate (CSN). During sulfate attack, SSA significantly improved the sulfate resistance of CSR, with the sulfate resistance coefficient of CSRS increasing by 18.8% compared to CSR. Furthermore, the PINN model predicted that, in 3%, 5%, and 7% sodium sulfate solutions, the sulfate concentration at a 1 mm depth in CSRS was reduced by 35.6%, 21.8%, and 29.4%, respectively, compared to CSR, with an average relative error below 14%, confirming its reliability. Therefore, these findings demonstrate that the incorporation of SSA markedly enhances the mechanical properties and sulfate resistance of CSR, and that the PINN model provides an effective tool for accurate simulation and prediction of sulfate diffusion.

水泥稳定再生骨料(CSR)在路面基层中的应用受到了再生骨料(RA)高孔隙率和低强度的限制,而硫酸盐运移和耐久性机制的报道较少。为了解决这一问题,本研究将高强度和潜在活性的钢渣骨料(SSA)纳入CSR,开发钢渣增强水泥稳定再生骨料(CSRS)。通过无侧限抗压强度(UCS)和间接抗拉强度(ITS)试验评估了混合料的力学性能,并通过热收缩和抗硫酸盐试验评估了其耐久性。此外,建立了基于物理信息神经网络(PINN)的硫酸盐预测模型。结果表明,与CSR相比,CSRS的7天和28天UCS分别提高了6.7%和16.0%,ITS提高了4.3%和5.9%。热收缩试验表明,含RA和SSA的CSR和CSRS的热收缩应变略高于水泥稳定天然骨料(CSN)。在硫酸盐侵蚀过程中,SSA显著提高了CSR的抗硫酸盐性,CSR的抗硫酸盐系数比CSR提高了18.8%。此外,PINN模型预测,在3%、5%和7%硫酸钠溶液中,CSRS中1mm深度处的硫酸盐浓度分别比CSR降低了35.6%、21.8%和29.4%,平均相对误差低于14%,证实了其可靠性。因此,这些研究结果表明,SSA的加入显著提高了CSR的力学性能和抗硫酸盐性,并且PINN模型为硫酸盐扩散的精确模拟和预测提供了有效的工具。
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引用次数: 0
Hardness Prediction of MoNbTaW Alloy Films Based on Machine Learning and Interpretability Analysis. 基于机器学习和可解释性分析的MoNbTaW合金薄膜硬度预测。
IF 3.2 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-29 DOI: 10.3390/ma19030543
Yan-Han Yang, Tian-You Zhu, Wei Ren, Wei-Li Wang

Machine learning (ML) offers a powerful paradigm for accelerating performance prediction of high-entropy alloys (HEAs). The present study proposed an ML framework based on the ridge regression algorithm for predicting the hardness of MoNbTaW HEA films. By comparing various feature-screening strategies, an optimized feature set comprising three features, namely δG, Λ, and Ω, was selected from 20 candidate physical features. The model based on this feature set exhibited strong predictive performance. In 10-fold cross-validation, R2 was 0.86, RMSE was 0.41 GPa and MAE was 0.31 GPa. On the reserved validation set, R2 was 0.88, RMSE was 0.37 GPa, and MAE was 0.31 GPa. The model further revealed the influence trends of constituent elements and key features on hardness. By using ML to mine useful information from a dataset of HEA film samples prepared via magnetron sputtering, this work provides an approach for rapid and cost-effective design of HEAs.

机器学习(ML)为加速高熵合金(HEAs)的性能预测提供了一个强大的范例。本研究提出了一个基于脊回归算法的机器学习框架,用于预测MoNbTaW HEA薄膜的硬度。通过比较各种特征筛选策略,从20个候选物理特征中筛选出δG、Λ和Ω三个特征的优化特征集。基于该特征集的模型表现出较强的预测性能。10倍交叉验证,R2为0.86,RMSE为0.41 GPa, MAE为0.31 GPa。在保留验证集上,R2为0.88,RMSE为0.37 GPa, MAE为0.31 GPa。该模型进一步揭示了组成元素和关键特征对硬度的影响趋势。通过使用机器学习从磁控溅射制备的HEA薄膜样品数据集中挖掘有用信息,本工作为快速和经济高效地设计HEA提供了一种方法。
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引用次数: 0
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