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21 pages, 3012 KB  
Article
Sustainable Production of Chromium–Manganese Ligatures from Low-Grade Iron–Manganese Ore and Ferrosilicochrome Dust: Thermodynamic Modeling and Experimental Verification
by Yerbolat Makhambetov, Sultan Kabylkanov, Saule Abdulina, Armat Zhakan, Azamat Burumbayev, Zhadiger Sadyk, Amankeldy Akhmetov and Alok Sarkar
Metals 2026, 16(2), 184; https://doi.org/10.3390/met16020184 - 4 Feb 2026
Abstract
This study investigates the thermodynamic and experimental aspects of producing a chromium–manganese ligature under high-temperature smelting conditions using low-grade iron–manganese ore and ferrosilicochrome (FeSiCr) dust as both a reducing agent and a chromium source. Thermodynamic modeling of the multicomponent Fe–Cr–Mn–Si–Al–Ca–Mg–O system was carried [...] Read more.
This study investigates the thermodynamic and experimental aspects of producing a chromium–manganese ligature under high-temperature smelting conditions using low-grade iron–manganese ore and ferrosilicochrome (FeSiCr) dust as both a reducing agent and a chromium source. Thermodynamic modeling of the multicomponent Fe–Cr–Mn–Si–Al–Ca–Mg–O system was carried out using the HSC Chemistry 10 and FactSage 8.4 software packages to substantiate the temperature regime, reducing agent consumption, and conditions for the formation of a stable metal–slag system. The calculations indicated that efficient reduction of manganese oxides and formation of the metallic phase are achieved at a smelting temperature of 1600 °C with a reducing agent consumption of approximately 50 kg. Experimental smelting trials conducted in a laboratory Tammann furnace under the calculated parameters confirmed the validity of the thermodynamic predictions and demonstrated the feasibility of obtaining a concentrated chromium–manganese ligature. The resulting metallic product exhibited a high total content of alloying elements and had the following chemical composition (wt.%): Fe 35.41, Cr 41.10, Mn 8.15, and Si 4.31. SEM–EDS microstructural analysis revealed a uniform distribution of chromium and manganese within the metallic matrix, indicating stable reduction behavior and favorable melt crystallization conditions. The obtained results demonstrate the effectiveness of an integrated thermodynamic–experimental approach for producing chromium–manganese ligatures from low-grade mineral raw materials and industrial by-products and confirm the potential applicability of the proposed process for complex steel alloying. Full article
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18 pages, 16964 KB  
Article
Tailoring Microstructure and Mechanical Properties of the Al-7Si-0.35Mg-0.35Fe Alloy by Cr Addition: A Study on Fe-Rich Phase Modification
by Chiteng Le, Wenjun Liu, Tiancai Yin, Shuai Zhao, Cong Gao, Mingbo Yang, Tiehu Li and Bin Jiang
Materials 2026, 19(3), 593; https://doi.org/10.3390/ma19030593 - 3 Feb 2026
Abstract
Fe-rich phases are unavoidable intermetallic compounds in aluminum alloys, particularly in recycled aluminum. Their needle-like morphology not only impairs the mechanical performance of the alloy by disrupting the continuity of the matrix but also significantly reduces the allowable addition of recycled aluminum materials. [...] Read more.
Fe-rich phases are unavoidable intermetallic compounds in aluminum alloys, particularly in recycled aluminum. Their needle-like morphology not only impairs the mechanical performance of the alloy by disrupting the continuity of the matrix but also significantly reduces the allowable addition of recycled aluminum materials. Based on this, this study focuses on the Al-7Si-0.35Mg-0.35Fe alloy with a high Fe content. The Cr was introduced to modify the characteristics of the Fe-rich phase, and the microstructural evolution and mechanical properties of the aluminum alloy with different Cr content (0–0.25 wt.%) were investigated. Experimental results show that the secondary dendrite arm spacing of the alloy is significantly refined after Cr addition. Meanwhile, the Fe-rich phase gradually transitions from β-Al5FeSi with needle-like morphology to α-Al15(Fe,Cr)3Si2 with short rod-like or blocky morphology as the Cr content increases. Notably, the Fe-rich phase in the 0.20Cr alloy exhibits an approximately 65% increase in sphericity and an 84% reduction in equivalent diameter compared to those in the 0Cr alloy. The morphological blunting and dispersed distribution of Fe-rich phases lead to a broad effective Cr addition range of 0.05–0.20 wt% in the alloy. Among them, the 0.20Cr alloy exhibited the best comprehensive mechanical properties, with its ultimate tensile strength and elongation approximately 19% and 107% higher than those of the 0Cr alloy, respectively. Furthermore, the fracture morphology and the relationship between the Fe-rich phase and microcracks in Al-7Si-0.35Mg-0.35Fe alloys with different Cr contents were also analyzed. Full article
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19 pages, 3631 KB  
Article
Study on the Simultaneous Immobilization of Soluble Phosphorus and Fluorine in Phosphogypsum Using Activated Red Mud: Mechanism and Process Optimization
by Yi Wang, Yanhong Wang, Guohua Gu and Xuewen Wang
Toxics 2026, 14(2), 149; https://doi.org/10.3390/toxics14020149 - 2 Feb 2026
Viewed by 40
Abstract
Phosphogypsum (PG) is a byproduct of wet-process phosphoric acid production and contains soluble phosphorus (P), fluorine (F), and other harmful impurities in addition to calcium sulfate. Its acidic leachate enriched with P and F poses long-term risks to soil and surrounding water bodies. [...] Read more.
Phosphogypsum (PG) is a byproduct of wet-process phosphoric acid production and contains soluble phosphorus (P), fluorine (F), and other harmful impurities in addition to calcium sulfate. Its acidic leachate enriched with P and F poses long-term risks to soil and surrounding water bodies. Owing to the incorporation of soluble P and F within calcium sulfate crystal interlayers, these contaminants are gradually released during storage, making it difficult to achieve an economically efficient and environmentally benign treatment of PG at an industrial scale. In this study, a low-cost and sustainable process for the effective and long-term immobilization of soluble P and F in PG was developed using sulfuric acid-activated red mud (RM), an industrial waste rich in Fe and Al. After pulping PG with water, activated RM was added, followed by pH adjustment with Ca(OH)2, leading to the in situ formation of amorphous calcium aluminate and calcium ferrite polymers with strong adsorption affinity toward soluble P and F. The immobilization mechanism and phase evolution were systematically investigated using inductively coupled plasma optical emission spectroscopy (ICP-OES, PS-6PLASMA SPECTROVAC, BAIRD, USA), on a Rigaku Miniflex diffractometer (Rigaku Corporation, Tokyo, Japan), scanning electron microscopy coupled with energy-dispersive spectroscopy (SEM-EDS), and zeta potential analysis. The leachate of PG treated with activated RM and Ca(OH)2 contained P < 0.5 mg/L and F < 10 mg/L at pH 8.5–9.0, meeting environmental requirements (pH = 6–9, P ≤ 0.5 mg/L, F ≤ 10 mg/L). Moreover, the immobilized P and F exhibited enhanced stability during long-term stacking, indicating the formation of durable immobilization products. This study demonstrates an effective “treating waste with waste” strategy for the large-scale, environmentally safe utilization of phosphogypsum. Full article
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17 pages, 2706 KB  
Article
Dual-Promoted Trimetallic CoMo-Ni/Al2O3-K2O Catalysts: Impact of K2O Doping on Guaiacol Hydrodeoxygenation Selectivity
by Kenian L. Arévalo Blanco, Wilder S. Campo Baca and Esneyder Puello Polo
Inorganics 2026, 14(2), 45; https://doi.org/10.3390/inorganics14020045 - 30 Jan 2026
Viewed by 121
Abstract
The influence of potassium oxide (K2O) doping on the hydrodeoxygenation (HDO) performance of trimetallic CoMo–Ni/Al2O3 catalysts was systematically investigated using guaiacol as a lignin-derived model compound. Catalysts containing 0, 1, 3, and 5 wt% K2O were [...] Read more.
The influence of potassium oxide (K2O) doping on the hydrodeoxygenation (HDO) performance of trimetallic CoMo–Ni/Al2O3 catalysts was systematically investigated using guaiacol as a lignin-derived model compound. Catalysts containing 0, 1, 3, and 5 wt% K2O were synthesized and characterized by SEM-EDS, N2 physisorption, XRD, FTIR, and HRTEM. SEM micrographs showed homogeneous morphologies with no significant agglomeration, while EDS analysis confirmed elemental compositions close to nominal values, with K2O contents increasing proportionally and maintaining uniform surface distribution. Adsorption–desorption isotherms confirmed mesoporous structures with specific surface areas ranging from 258 to 184 m2 g−1, decreasing with increasing K2O loading. XRD revealed γ-Al2O3, NiO, (NH4)3[CoMo6O24H6]·7H2O, and K2O phases, with slight peak shifts indicating surface modification rather than lattice incorporation of K+. FTIR spectra evidenced characteristic polyoxomolybdate vibrations and metal–oxygen interactions with alumina. HRTEM revealed MoS2 slab lengths between 1.85 and 2.51 nm, stacking numbers from 2.08 to 3.17, and Mo edge-to-corner ratios (fe/fc) between 1.39 and 2.43, corresponding to dispersions of 0.45–0.57. Guaiacol conversion remained high (≥95%) for all catalysts, while HDO selectivity strongly depended on K2O content. At 5 wt% K2O, cyclohexane selectivity reached 81.3% with an HDO degree of 65%, compared to 52.0% and 31% for the undoped catalyst. Pseudo-first-order kinetic analysis revealed that potassium promotes demethylation and demethoxylation steps while suppressing rearrangement pathways, steering the reaction network toward direct deoxygenation. These results demonstrate that K2O acts as an efficient structural and electronic promoter, enabling precise control of HDO selectivity without compromising catalytic activity. Full article
(This article belongs to the Special Issue Transition Metal Catalysts: Design, Synthesis and Applications)
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15 pages, 3743 KB  
Article
Mechanical and Microstructural Characterization of Trapezoidal Corrugated-Core Al Sandwich Panels Under Quasi-Static Compression
by Alessandra Ceci, Girolamo Costanza and Maria Elisa Tata
Materials 2026, 19(3), 548; https://doi.org/10.3390/ma19030548 - 30 Jan 2026
Viewed by 204
Abstract
Sandwich panels with trapezoidal (corrugated) cores combine low weight, high specific stiffness, and energy absorption capability. This study analyzes four configurations with different core heights by means of microstructural analyses (optical microscopy, SEM/EDS, XRD) and quasi-static compression tests. The tests yield stress–strain curves [...] Read more.
Sandwich panels with trapezoidal (corrugated) cores combine low weight, high specific stiffness, and energy absorption capability. This study analyzes four configurations with different core heights by means of microstructural analyses (optical microscopy, SEM/EDS, XRD) and quasi-static compression tests. The tests yield stress–strain curves with an initial linear stage, a peak, a plateau, and a densification stage. Peak stresses range from 0.5 MPa for the thickest core (P1) to 6.2 MPa for the thinnest core (P4), while the energy absorbed density (EAD) increases with strain: at ε = 30% it varies from 0.031 to 0.670 J/cm3, and at ε = 50% the thin-core configuration reaches ≈1.113 J/cm3. The face sheets and the core are both manufactured from AA 3000 series (Al–Mn) aluminum alloy; widespread micro-porosity and Fe/Mn-rich phases are observed by SEM/EDS. XRD confirms aluminum with different peak intensities ascribable to the manufacturing texture. Increasing the core height promotes earlier local/global instabilities and reduces the peak stress; the thinnest core displays higher stiffness and peak loads. These findings support the use of trapezoidal corrugation where low weight and progressive strain are required. Full article
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26 pages, 9911 KB  
Article
Origins, Distribution, and Migration of Alkali Metals in High-Sodium Naomaohu Coal During Fixed-Bed Gasification
by Yaofeng Hu, Xin Guo, Yuegang Tang and Haonan Zhang
Minerals 2026, 16(2), 161; https://doi.org/10.3390/min16020161 - 30 Jan 2026
Viewed by 168
Abstract
Naomaohu coal from the Santanghu Basin, Xinjiang, is characterized by anomalously high Na and Ca contents, which strongly affect its gasification behavior and slagging tendency. However, the genetic linkage between geological alkali enrichment and their transformation during thermal processes remains insufficiently constrained. In [...] Read more.
Naomaohu coal from the Santanghu Basin, Xinjiang, is characterized by anomalously high Na and Ca contents, which strongly affect its gasification behavior and slagging tendency. However, the genetic linkage between geological alkali enrichment and their transformation during thermal processes remains insufficiently constrained. In this study, an integrated investigation combining coal seam profile analysis, coal petrography, mineralogical characterization, and fixed-bed gasification experiments was conducted to elucidate the enrichment mechanisms and transformation pathways of alkali and alkaline earth metals (AAEMs). A total of forty six samples were collected along a vertical seam profile to determine the depositional control of alkali and alkaline earth metals (AAEMs), and seven representative samples were further subjected to pressurized fixed-bed gasification. Alkali migration and mineral phase evolution were systematically analyzed using XRD, XRF, and SEM-EDS. The results indicate that Na enrichment is mainly controlled by groundwater infiltration and weak paleoweathering, while Ca accumulation reflects deposition in humid, Ca-rich mire environments. During gasification, Na volatilizes and recondenses as Na-feldspars (NaAlSi2O6) and NaCl, whereas Ca decomposes into gehlenite (Ca2Al2SiO7) and brownmillerite (Ca2AlFeO5). The formation of these low-melting Na–Al–Si phases and Ca–Fe–Al phases dominate the ash fusion and slagging behavior. This study establishes a coupled geological–thermal transformation model for AAEMs in high-Na coal, providing mechanistic insight into mineralogical inheritance and offering guidance for mitigating alkali-induced slagging during gasification. Full article
(This article belongs to the Section Mineral Geochemistry and Geochronology)
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28 pages, 3094 KB  
Review
Advances in Understanding of Secondary Phases and Their Corrosion Implications in Stainless Steel Alloys—A Review
by Ihsan Ulhaq Toor
Corros. Mater. Degrad. 2026, 7(1), 9; https://doi.org/10.3390/cmd7010009 - 30 Jan 2026
Viewed by 105
Abstract
The formation and evolution of secondary phases, such as sigma (σ), chi (χ), Laves, carbides (M23C6), and nitrides (Cr2N), have a fundamental impact on the corrosion resistance of stainless steels. These stages alter the matrix’s local chemistry, [...] Read more.
The formation and evolution of secondary phases, such as sigma (σ), chi (χ), Laves, carbides (M23C6), and nitrides (Cr2N), have a fundamental impact on the corrosion resistance of stainless steels. These stages alter the matrix’s local chemistry, compromise the passive film’s quality, and promote micro-galvanic interaction, which enhances localized corrosion issues. The thermodynamic stability, precipitation kinetics, and corrosion consequences of secondary phases in austenitic, ferritic, duplex, and lightweight (Fe–Mn–Al–C) stainless-steel systems are thoroughly reviewed and discussed in this paper. Advances in high-resolution characterization techniques, such as TEM, EBSD, atom-probe tomography, and in situ synchrotron techniques, have made it possible to map corrosion problems caused by secondary phases at the nanoscale. Computational thermodynamics (CALPHAD, DICTRA, TC-PRISMA) and emerging machine-learning models now provide quantitative prediction of phase formation and dissolution. Strategies for mitigation through alloy design, thermal treatment, and surface engineering are summarized, together with additive-manufacturing approaches for microstructural tailoring. Finally, this review highlights the integration of multi-scale modeling and sustainable alloy design to ensure phase-stable, corrosion-resistant stainless steels that enhance asset integrity and infrastructure reliability as per Sustainable Development Goals. Full article
(This article belongs to the Special Issue Atmospheric Corrosion of Materials, 2nd Edition)
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25 pages, 4632 KB  
Article
Research on the Forecasting of Strategic Mineral Resource Scrap and Gap Rate of Electric Vehicles Based on a Life Cycle Perspective
by Yuzheng Gao, Jing An, Yijie Zhang and Junyi Chen
Sustainability 2026, 18(3), 1300; https://doi.org/10.3390/su18031300 - 28 Jan 2026
Viewed by 204
Abstract
The rapid development of electric vehicles (EVs) will inevitably consume substantial scarce resources, posing risks and challenges to their supply chains. From a life cycle perspective, this study innovatively incorporates charging piles (CPs) into the research scope. Six scenarios are established to quantitatively [...] Read more.
The rapid development of electric vehicles (EVs) will inevitably consume substantial scarce resources, posing risks and challenges to their supply chains. From a life cycle perspective, this study innovatively incorporates charging piles (CPs) into the research scope. Six scenarios are established to quantitatively analyze the scrap and recovery volume of 20 metallic and 3 non-metallic strategic mineral resources in lithium-ion batteries (LIBs) and CPs for China’s passenger EVs during 2010–2050. Under six scenarios, the results show that Al in LIBs and Fe in CPs have the highest scrap volumes, increasing from 2.69 t in 2010 to 2.98 × 106 t in 2050 and from 34.76 t in 2024 to 1.14 × 106 t in 2050, respectively. In contrast, Co in LIBs and Zr in CPs have the smallest scrap volumes, increasing from 0.22 t in 2012 to 8.25 × 104 t in 2050 and from 8.8 × 10−7 t in 2024 to 1.52 × 10−5 t in 2050, respectively. Over 97% of Li, Co, Ni, and Al originates from LIBs during 2026–2050, while Fe and Cu from CPs show notable growth, underscoring recycling urgency. Recycle-demand analysis in LIB reveals the gap rate for nine elements. Seven elements’ gap rates are 0.39–0.81 (GI = 80%) and 0.25–0.75 (GI = 100%), while Fe’s gap rate turns to 0 in 2045 due to LFP phase-out and P’s gap rate reaches −1.22 (GI = 80%) and −1.77 (GI = 100%) in 2045 before rebounding. Full article
(This article belongs to the Section Waste and Recycling)
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23 pages, 9730 KB  
Article
The Effect of Heat Treatment on the Phase Composition and Tribological Behavior of Thermally Sprayed Al-Based Quasicrystalline Coatings
by Tong Xu, Siyang Gao, Deli Duan, Bowen Zheng and Yongchao Fang
Lubricants 2026, 14(2), 57; https://doi.org/10.3390/lubricants14020057 - 28 Jan 2026
Viewed by 129
Abstract
Al-Cu-Fe quasicrystalline coatings were prepared using detonation spraying, followed by heat treatment at 450 °C for varying durations. Reciprocating sliding wear tests were conducted using an MTF-5000 tribological tester to investigate the tribological behavior of the coatings with varying phase compositions and contents. [...] Read more.
Al-Cu-Fe quasicrystalline coatings were prepared using detonation spraying, followed by heat treatment at 450 °C for varying durations. Reciprocating sliding wear tests were conducted using an MTF-5000 tribological tester to investigate the tribological behavior of the coatings with varying phase compositions and contents. The results show that heat treatment significantly influences the phase composition and tribological behavior of the quasicrystalline coating. Regarding the phase composition, as the heat treatment duration increased, the phase constitution of the coating evolved from the initial three phases to five phases. The content of the quasicrystalline I phase remained essentially constant with increasing heat treatment time, but exhibited a notable decrease at 241 h mark. For the friction coefficient, shorter heat treatment times resulted in a relatively low range (0.35–0.37), while excessively long heat treatment times led to a significant increase in the friction coefficient (0.44–0.48). Regarding the wear rate, it decreased approximately linearly with increasing heat treatment time, reaching a minimum value after 136 h of treatment. At this point, it is the optimal heat treatment time. In essence, heat treatment modifies the wear mechanism and wear resistance of the coating by altering its phase composition and mechanical properties. Full article
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23 pages, 3718 KB  
Article
Microstructural Observations, Mechanical Hierarchy, and Tribological Performance in CrFeMoV-Alx High-Entropy Alloys
by Anthoula Poulia, Maria-Nikoleta Zygogianni, Christina Mathiou, Emmanuel Georgatis, Stavros Kiape, Spyros Kamnis and Alexander E. Karantzalis
Crystals 2026, 16(2), 88; https://doi.org/10.3390/cryst16020088 - 27 Jan 2026
Viewed by 195
Abstract
This work investigates the synthesis, thermodynamic phase stability and microstructural, mechanical and tribological behavior of the CrFeMoV alloy system and its Al-modified derivatives, CrFeMoV-Al2 and CrFeMoV-Al6, which belong to the family of high- and medium-entropy alloys. The studied systems were produced via Vacuum [...] Read more.
This work investigates the synthesis, thermodynamic phase stability and microstructural, mechanical and tribological behavior of the CrFeMoV alloy system and its Al-modified derivatives, CrFeMoV-Al2 and CrFeMoV-Al6, which belong to the family of high- and medium-entropy alloys. The studied systems were produced via Vacuum Arc Melting (VAM), followed by a comprehensive characterization. Thermodynamic and geometric phase-formation models were employed to predict the formation of BCC/Β2 solid solutions and the potential emergence of σ-type intermetallic compounds. An ML model was also employed to further predict elemental interactions and phase evolution. These predictions were experimentally confirmed via X-ray diffraction analysis, which verified the presence of a BCC matrix in all compositions, the presence of σ-phase precipitates whose volume fraction systematically reduced with Al inclusion and the gradual increase in the B2 phase with the increase in the Al content. Scanning electron microscopy and EDX analyses uncovered noticeable dendritic segregation, with Mo and Fe enrichment in dendrite cores and in interdendritic regions, respectively. Cr, V, and Al were more uniformly distributed. Mechanical property data derived by micro hardness testing demonstrated a high hardness of 816 HV for the base alloy, ascribed to σ-phase strengthening, followed by a progressive reduction in this value to 802 HV and 756 HV in Al-containing alloys due to the attenuation of σ-phase formation and the gradual increase in the B2 phase. Dry sliding wear results unveiled a positive correlation between wear resistance and hardness, confirming the beneficial role of intermetallic strengthening. Finally, nanoindentation tests shed light on the nanoscale mechanical response, confirming the trends observed at the microscale. Overall, the combination of thermodynamic modeling and experimental analysis provide a robust framework for understanding phase stability, microstructural evolution, and mechanical performance in Al-alloyed CrFeMoV high-entropy systems, while highlighting the potential of controlled Al additions to tailor microstructure and properties. Full article
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24 pages, 8765 KB  
Article
Tailoring the Mechanical Properties of Al0.4CrFe2Ni2 Medium-Entropy Alloy via Thermomechanical Processing
by Róbert Kočiško, Patrik Petroušek, Ondrej Milkovič, Pavel Diko, Vladimír Girman, Andrea Sütőová, Michal Duchek and Michal Zemko
Materials 2026, 19(3), 502; https://doi.org/10.3390/ma19030502 - 27 Jan 2026
Viewed by 151
Abstract
The microstructure and properties of a cobalt-free, cost-effective Al0.4CrFe2Ni2 medium-entropy alloy (MEA) after multi-stage thermomechanical processing, including annealing, rolling over a wide temperature range from hot to cryogenic conditions, and subsequent precipitation strengthening, were investigated in the present [...] Read more.
The microstructure and properties of a cobalt-free, cost-effective Al0.4CrFe2Ni2 medium-entropy alloy (MEA) after multi-stage thermomechanical processing, including annealing, rolling over a wide temperature range from hot to cryogenic conditions, and subsequent precipitation strengthening, were investigated in the present study. The initially cast microstructure was effectively homogenized through hot rolling with an 80% thickness reduction followed by homogenization annealing, resulting in the formation of a single-phase supersaturated solid solution and enhanced stability of plastic deformation. Strengthening of the MEA was achieved by rolling under both ambient and cryogenic conditions, with the deformation process predominantly governed by shear band formation. However, rolling under cryogenic conditions led to a more pronounced localization of plastic deformation, promoting the formation of deformation nanotwins and resulting in significantly higher strengthening compared to ambient rolling, with the alloy reaching a yield strength of 1040 MPa and an ultimate tensile strength of 1235 MPa. Precipitation hardening was governed by the formation of B2-type (ordered body-centered cubic, BCC) precipitates, which preferentially nucleated along deformation bands, thereby effectively strengthening the alloy to a yield strength of 1420 MPa and an ultimate tensile strength of 1465 MPa. Our results demonstrate that the investigated MEA offers a wide range of tunable mechanical properties, which can be effectively tailored through appropriate combinations of thermomechanical processing routes. Full article
(This article belongs to the Section Metals and Alloys)
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24 pages, 8050 KB  
Article
Design of Fe-Co-Cr-Ni-Mn-Al-Ti Multi-Principal Element Alloys Based on Machine Learning
by Xiaotian Xu, Zhongping He, Kaiyuan Zheng, Lun Che, Feng Zhao and Deng Hua
Materials 2026, 19(2), 422; https://doi.org/10.3390/ma19020422 - 21 Jan 2026
Viewed by 165
Abstract
Machine learning has been widely applied to phase prediction and property evaluation in multi-principal element alloys. In this work, a data-driven machine learning framework is proposed to predict the ultimate tensile strength (UTS) and total elongation (TE) of Fe-Co-Cr-Ni-Mn-Al-Ti multi-principal element alloys (MPEAs), [...] Read more.
Machine learning has been widely applied to phase prediction and property evaluation in multi-principal element alloys. In this work, a data-driven machine learning framework is proposed to predict the ultimate tensile strength (UTS) and total elongation (TE) of Fe-Co-Cr-Ni-Mn-Al-Ti multi-principal element alloys (MPEAs), offering a cost-effective route for the design of new MPEAs. A dataset was compiled through an extensive literature survey, and six different machine learning models were benchmarked, from which XGBoost was ultimately selected as the optimal model. The feature set was constructed on the basis of theoretical considerations and experimental data reported in the literature, and SHAP analysis was employed to further elucidate the relative importance of individual features. By imposing constraints on the screened features, two alloys predicted to exhibit superior performance under different heat-treatment conditions were identified and fabricated for experimental validation. The experimental results confirmed the reliability of the model in predicting fracture strength, and the errors observed in ductility prediction were critically examined and discussed. Moreover, the strengthening mechanisms of the designed MPEAs were further explored in terms of microstructural characteristics and lattice distortion effects. The alloy design methodology developed in this study not only provides a theoretical basis for exploring unexplored compositional spaces and processing conditions in multi-principal element alloys, but also offers an effective tool for developing novel alloys that simultaneously achieve high strength and good ductility. Full article
(This article belongs to the Section Metals and Alloys)
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17 pages, 2190 KB  
Article
New Strategy Based on Click Reaction for Preparation of 3-Acyl-4-hydroxycoumarin-Modified Silica as a Perspective Material for the Separation of Rare Earth Elements
by Dzhamilya N. Konshina, Ekaterina S. Spesivaya, Ida A. Lupanova, Anton S. Mazur and Valery V. Konshin
Molecules 2026, 31(2), 369; https://doi.org/10.3390/molecules31020369 - 20 Jan 2026
Viewed by 167
Abstract
The separation of rare earth elements (REEs) with similar chemical properties remains a relevant challenge today, most often addressed using liquid–liquid and solid-phase extraction with various chelating agents. Excellent complexing agents for REEs are 1,3-diketones and their analogs. We have for the first [...] Read more.
The separation of rare earth elements (REEs) with similar chemical properties remains a relevant challenge today, most often addressed using liquid–liquid and solid-phase extraction with various chelating agents. Excellent complexing agents for REEs are 1,3-diketones and their analogs. We have for the first time proposed a method for preparing a material consisting of a covalently immobilized 3-acyl-4-hydroxycoumarin ligand on silica. For its synthesis, we employed a strategy based on the “click” reaction of 3-azidopropyl silica with a propargyl-containing coumarin–chalcone conjugate—this approach is the most tolerant and does not affect the coordinationally active fragment of the ligand. The material was characterized by thermal analysis, IR spectroscopy, and 13C NMR. The potential of the synthesized material for REE preconcentration was demonstrated at pH 5–5.5: high extraction efficiency for Gd(III), Dy(III), Er(III), Eu(III), Sm(III), and Yb(III) was observed, with fast adsorption kinetics (30 min) and extraction degrees of ~98%. Under unified conditions of static and dynamic extraction for Gd(III), Dy(III), Er(III), Eu(III), Sm(III), and Yb(III), affinity series toward the surface were obtained as a function of the distribution coefficient. It was shown that 10-fold molar excesses of Fe(III), Al(III), Cu(II), Ni(II), and Co(II) allow retention of more than 95% extraction for Dy(III) and Er(III). After adsorption of Dy(III) and Er(III), shifts in the carbonyl group absorption bands are visible in the IR spectra of the material, indicating a chelating mechanism of sorption. Additional studies are required for implementation in analytical and preparative REE separation schemes; however, preliminary data show that the material is a highly active adsorbent. Full article
(This article belongs to the Section Materials Chemistry)
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15 pages, 4568 KB  
Article
Influences of Annealing Treatment on Soft Magnetic Properties, Mechanical Properties and Microstructure of Fe24.94Co24.94Ni24.94Al24.94Si0.24 High-Entropy Alloy
by Shiqi Zhang, Pin Jiang, Xuanbo Shi, Xiaohua Tan and Hui Xu
Entropy 2026, 28(1), 110; https://doi.org/10.3390/e28010110 - 16 Jan 2026
Viewed by 162
Abstract
In order to meet the ever-growing demand in modern power electronics, the advanced soft magnetic materials (SMMs) are required to exhibit both excellent soft magnetic performance and mechanical properties. In this work, the effects of an annealing treatment on the soft magnetic properties, [...] Read more.
In order to meet the ever-growing demand in modern power electronics, the advanced soft magnetic materials (SMMs) are required to exhibit both excellent soft magnetic performance and mechanical properties. In this work, the effects of an annealing treatment on the soft magnetic properties, mechanical properties and microstructure of the Fe24.94Co24.94Ni24.94Al24.94Si0.24 high-entropy alloy (HEA) are investigated. The as-cast HEA consists of a body-centered cubic (BCC) matrix phase and spherical B2 nanoprecipitates with a diameter of approximately 5 nm, where a coherent relationship is established between the B2 phase and the BCC matrix. After annealing at 873 K, the alloy retains both the BCC and B2 phases, with their coherent relationship preserved; besides the spherical B2 nanoprecipitates, rod-shaped B2 nanoprecipitates are also observed. After the annealing treatment, the saturation magnetization (Ms) of the alloy varies slightly within the range of 103–113 Am2/kg, which may be induced by the precipitation of this rod-shaped nanoprecipitate phase in the alloy. The increase in the coercivity (Hc) of annealed HEA is due to the inhomogeneous grain distribution, increased lattice misfit and high dislocation density induced by the annealing. The nanoindentation result reveals that the hardness after annealing at 873 K exhibits a 25% improvement compared with the hardness of as-cast HEA, which is mainly due to dislocation strengthening and precipitation strengthening. This research finding can provide guidance for the development of novel ferromagnetic HEAs, so as to meet the demands for materials with excellent soft magnetic properties and superior mechanical properties in the field of sustainable electrical energy. Full article
(This article belongs to the Special Issue Recent Advances in High Entropy Alloys)
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24 pages, 14631 KB  
Article
Influences of (Al, Si) Equi-Molar Co-Addition on Microstructure, Mechanical Properties and Corrosion Resistance of Co-Free Fe-Rich High Entropy Alloys
by Shufeng Xie, Ziming Chen, Chuanming Qiao, Wanwan Sun, Yanzhe Wang, Junyang Zheng, Xiaoyu Wu, Lingjie Chen, Bin Kong, Chen Chen, Kangwei Xu and Jiajia Tian
Metals 2026, 16(1), 92; https://doi.org/10.3390/met16010092 - 14 Jan 2026
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Abstract
In this paper, a series of Co-free FeCr0.6Ni0.6(AlSi)x (x = 0, 0.1, 0.12, 0.14, 0.16) high-entropy alloys (HEAs) were designed and fabricated by suction casting, and the effects of equi-molar (Al, Si) co-addition in these Fe-rich Fe-Cr-Ni-based HEAs [...] Read more.
In this paper, a series of Co-free FeCr0.6Ni0.6(AlSi)x (x = 0, 0.1, 0.12, 0.14, 0.16) high-entropy alloys (HEAs) were designed and fabricated by suction casting, and the effects of equi-molar (Al, Si) co-addition in these Fe-rich Fe-Cr-Ni-based HEAs on microstructure, mechanical properties, and corrosion resistance were systematically investigated. It is found that equi-molar (Al, Si) co-addition could cause the phase formation from FCC to FCC + BCC, while the morphologies of the phases change from dendrite-type to sideplate-type. Moreover, trade-off between strength and plasticity occurs with the increase in (Al, Si) co-addition, and the production of ultimate tensile strength and plasticity reaches the highest value when x = 0.12, while there exists a narrow region for x values to realize excellent comprehensive mechanical properties. In addition, similar corrosion resistance in 3.5 wt.% NaCl solution higher than 316L stainless steel could be realized in the HEAs with x = 0.12 and 0.14, while the latter one is slightly lower in pitting corrosion and the width of passive region, which is possibly caused by the increase in the density of phase boundaries. This work provides a novel insight on designing high-performance cost-effective Fe-rich and (Al, Si)-containing (Fe-Cr-Ni)-based HEAs combining high mechanical properties and corrosion resistance. Full article
(This article belongs to the Section Entropic Alloys and Meta-Metals)
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