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Keywords = fcc-bcc phase transformation

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15 pages, 26045 KB  
Article
Crystal Plasticity Finite Element Simulation and Quasi-In-Situ Experimental Study of Tensile Strain Partitioning in Multiphase High-Strength Steel
by Qilong Jia, Bingyi Wang, Yafei Xue, Lin Zhang, Yi Sun, Sujuan Yuan, Dongyun Sun, Peng Zhang, Xiaowen Sun, Xiaoyong Feng and Fucheng Zhang
Coatings 2026, 16(6), 735; https://doi.org/10.3390/coatings16060735 (registering DOI) - 20 Jun 2026
Abstract
A multiphase high-strength steel austempered at 260 °C for 24 h was investigated by quasi-in-situ tensile characterization and EBSD-based crystal plasticity finite element modeling. The experimental observations reveal that local plastic deformation is strongly heterogeneous: von Mises strain concentrates preferentially near bainitic-ferrite packets, [...] Read more.
A multiphase high-strength steel austempered at 260 °C for 24 h was investigated by quasi-in-situ tensile characterization and EBSD-based crystal plasticity finite element modeling. The experimental observations reveal that local plastic deformation is strongly heterogeneous: von Mises strain concentrates preferentially near bainitic-ferrite packets, phase boundaries, and retained-austenite/martensite–austenite regions, whereas blocky retained austenite contributes to strain accommodation at the early deformation stage. To quantify the underlying stress–strain partitioning, a quasi-two-dimensional representative volume element was reconstructed from EBSD data and implemented in ABAQUS through a user-defined material subroutine. The model contained the real grain morphology, phase distribution, and crystal orientation information of the 24 h austempered specimen. A rate-dependent crystal plasticity constitutive framework with BCC matrix, FCC retained austenite, and transformed martensite branches was calibrated against the macroscopic tensile curve. The simulated tensile response agrees well with the experimental curve before macroscopic instability, and the predicted local fields are consistent with the quasi-in-situ strain maps. The results show that local plastic strain first accumulates in M/A-related regions and phase-boundary-neighboring zones, while high Mises stress migrates dynamically with slip activity and stress-induced martensitic transformation. Retained-austenite transformation increases the local load-bearing capacity, modifies interphase load transfer, and delays the direct linkage of strain-localization bands. The present work clarifies the coupling among retained-austenite stability, TRIP-assisted load redistribution, and microstructural strain partitioning in multiphase high-strength steel, providing a mesoscale basis for microstructure-guided strength–ductility optimization. Full article
(This article belongs to the Section Surface Characterization, Deposition and Modification)
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19 pages, 4741 KB  
Article
Multi-Phase Evolution and Surface Degradation Kinetics of a Non-Equiatomic (FeCoNiCr)85Ga15 High Entropy Alloy: The Role of Low-Temperature Thermal Activation
by Emmanuel Georgatis, Stavros Kiape, Margarita Ziavra, Anthoula Poulia and Alexander E. Karantzalis
Crystals 2026, 16(6), 376; https://doi.org/10.3390/cryst16060376 - 3 Jun 2026
Viewed by 285
Abstract
This study provides a rigorous analysis of the phase stability, mechanical behavior, and surface integrity of a non-equiatomic (FeCoNiCr)85Ga15 high-entropy alloy (HEA). By transitioning from the conventional equiatomic design to a gallium-doped 3d-transition metal matrix, we explore the interplay between [...] Read more.
This study provides a rigorous analysis of the phase stability, mechanical behavior, and surface integrity of a non-equiatomic (FeCoNiCr)85Ga15 high-entropy alloy (HEA). By transitioning from the conventional equiatomic design to a gallium-doped 3d-transition metal matrix, we explore the interplay between lattice distortion and phase separation. Synthesized via vacuum arc melting, the as-cast alloy exhibits a non-homogeneous dendritic morphology consisting of a Cr-Fe-Co rich face-centered cubic (FCC) matrix and Ni-Ga rich body-centered cubic (BCC) interdendritic regions. While global thermodynamic criteria (δ = 3.65, ΔHmix = −9.28 kJ/mol, and Ω = 2.23) favor single-phase solid solution stability, the Valence Electron Concentration (VEC = 7.46) precisely forecasts this dual-phase structure. Following low-temperature annealing at 250 °C for 24 h, high lattice strain energy drives a significant morphological transformation where the continuous interdendritic network resolves into discrete, phase-separated B2/BCC “islands”. Mechanical and tribological characterizations reveal that this low-temperature thermal activation triggers precipitate hardening; the macro-hardness increases from 146 ± 11 HB to 153 ± 7.5 HB and the micro-hardness rises from 186 ± 4 HV0.5 to 206 ± 17.5 HV0.5, yielding enhanced resistance to oxidation-delamination wear. However, electrochemical evaluation in a 3.5 wt.% NaCl solution highlights a fundamental trade-off: the formation of localized galvanic micro-cells between the phase-separated islands and the matrix causes the corrosion current density (icorr) to increase from ≈10−9 A/cm2 in the as-cast state to ≈10−6 A/cm2 post-heat treatment, accompanied by a heightened susceptibility to localized pitting. These findings elucidate the primary role of electronic structure and minor p-block additions in regulating the lifecycle performance of transition metal HEAs under extreme conditions. Full article
(This article belongs to the Section Crystalline Metals and Alloys)
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30 pages, 5948 KB  
Review
High-Entropy Alloys as Materials for Solid-State Hydrogen Storage: From Fundamental Principles to Directed Design Strategies
by Sherzod Kurbanbekov, Mazhyn Skakov, Tolegen Kaisaruly, Yulduz Amangeldiyeva, Sherzod Ramankulov, Aidyn Tussupzhanov and Yerkhat Dauletkhanov
Metals 2026, 16(6), 577; https://doi.org/10.3390/met16060577 - 25 May 2026
Viewed by 567
Abstract
High-entropy alloys and the broader class of compositionally complex alloys have recently attracted significant attention as promising materials for solid-state hydrogen storage. Their potential arises not only from high configurational entropy but also from the possibility of tailoring phase composition, crystal structure, local [...] Read more.
High-entropy alloys and the broader class of compositionally complex alloys have recently attracted significant attention as promising materials for solid-state hydrogen storage. Their potential arises not only from high configurational entropy but also from the possibility of tailoring phase composition, crystal structure, local chemical environment, and defect states that govern hydrogen sorption thermodynamics and kinetics. This review summarizes current understanding of hydrogen interaction mechanisms in HEAs and discusses the role of body-centered cubic (BCC), face-centered cubic (FCC), and Laves phases in determining hydrogen capacity, reversibility, and cyclic stability. The limitations of commonly used descriptors, including valence electron concentration (VEC), atomic size mismatch δ, enthalpy of mixing ΔHmix, and Ω parameter, in predicting hydrogen storage behavior are critically analyzed. Particular attention is given to the effects of processing methods, phase transformations during hydrogenation/dehydrogenation, and the energetic heterogeneity of interstitial sites in multicomponent systems. The review highlights that future progress will depend on the transition from empirical alloy discovery toward physically informed multiparametric design integrating CALPHAD, DFT modeling, machine learning, and in situ/operando characterization techniques for the development of efficient and durable hydrogen storage materials. Full article
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17 pages, 1319 KB  
Perspective
Hydrogen Occupancy, Site Hierarchy, and Hydride-Transformation Pathways in BCC High-Entropy Alloys
by Chen Chen, Quanhui Hou, Liangjuan Gao and Zhao Ding
Molecules 2026, 31(10), 1625; https://doi.org/10.3390/molecules31101625 - 12 May 2026
Viewed by 403
Abstract
Body-centered cubic (BCC) high-entropy alloys (HEAs) are among the most promising HEA-based solid-state hydrogen-storage materials, yet their behavior is still too often discussed through composition, average phase label, or storage capacity alone. This Perspective argues that such descriptions remain incomplete because hydrogen accommodation [...] Read more.
Body-centered cubic (BCC) high-entropy alloys (HEAs) are among the most promising HEA-based solid-state hydrogen-storage materials, yet their behavior is still too often discussed through composition, average phase label, or storage capacity alone. This Perspective argues that such descriptions remain incomplete because hydrogen accommodation in BCC HEAs is governed by the interplay among local interstitial accessibility, site hierarchy, and hydrogen-induced structural evolution. We therefore recast the problem around three linked questions: where hydrogen resides first, how the relative accessibility of tetrahedral and octahedral environments evolves with loading, and how that evolving occupancy redirects the host lattice toward specific hydride-transformation pathways. Recent experimental and computational studies show that hydrogen occupation in BCC HEAs is mixed, selective, and concentration-dependent, rather than fixed to a single ideal interstitial type. They also show that direct BCC-to-FCC/BCT-type hydrogenation routes, as well as pathway failure in structurally unstable BCC-related systems, are best understood from this occupancy-centered viewpoint. On this basis, we suggest that future design of BCC HEA hydrides should move beyond composition screening toward an occupancy-informed framework in which local site hierarchy, pathway integrity, and hydrogen-induced phase switching are treated as central design variables. Full article
(This article belongs to the Special Issue The Role of Transition Metal Compounds in Energy Conversion)
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21 pages, 3741 KB  
Article
Effect of cBN Addition on Phase Composition, Microstructure, Wear Resistance, and Corrosion Resistance of CoCuNiTi + x cBN (x = 0.0, 0.5, and 1.0 wt.%) High-Entropy Alloy Coatings
by Mingxing Ma, Xiaoyan Zhang, Cun Liang, Ying Dong, Zhixin Wang, Chengjun Zhu, Liang Zhao, Yanjun Xi, Deliang Zhang and Dachuan Zhu
Coatings 2026, 16(4), 422; https://doi.org/10.3390/coatings16040422 - 2 Apr 2026
Viewed by 528
Abstract
Although 45 steel is widely used in the manufacture of mechanical parts, its application in harsh working conditions is limited owing to its low hardness, poor wear resistance, and corrosion resistance. Laser cladding can enhance the performance of the working surface without sacrificing [...] Read more.
Although 45 steel is widely used in the manufacture of mechanical parts, its application in harsh working conditions is limited owing to its low hardness, poor wear resistance, and corrosion resistance. Laser cladding can enhance the performance of the working surface without sacrificing substrate toughness. CoCuNiTi HEACs with different cBN additions were successfully prepared on a 45-steel substrate. The phase structure, microstructure, elemental composition, wear, and corrosion behavior of CoCuNiTi + x cBN (x = 0.0, 0.5, and 1.0 wt.%) HEACs were investigated using XRD, OM, SEM, EDS, friction and wear tester, and electrochemical workstation, respectively. The results show that all three coatings exhibit a dual-phase structure composed of FCC and BCC phases. The addition of cBN transforms the alloy phase structure from the original FCC main phase to the BCC main phase. The incorporation of cBN significantly reduces the lattice constant and cell volume of the alloy phase. The change in the alloy phase density is negatively correlated with the cell volume. CoCuNiTi + x cBN (x = 0.0, 0.5, and 1.0 wt.%) alloys have a dendritic structure. No pores were observed in the cBN-containing sample. The content of Ti in the primary phase is the highest. Co is enriched in the dendrite region, and Cu is enriched in the interdendrite region. The significant reduction in the average segregation coefficient for cBN-containing samples is attributed to the heterogeneous nucleation of the alloy melt at lower undercooling levels and the significant increase in the diffusion rate. The friction coefficient of the alloy decreases significantly with increasing cBN content. The sample with 1.0 wt.% cBN shows the best wear resistance, mainly due to the combined effects of hard particle support, solid solution strengthening, phase interface reduction, and high thermal conductivity of cBN. The sample with 1.0 wt.% cBN has the largest capacitive arc radius and charge-transfer resistance, along with the lowest annual corrosion rate, indicating optimal corrosion resistance. This is primarily related to the reduction in pore defects caused by cBN addition, hindrance of uniform penetration of the corrosive medium by dispersed cBN particles, and increased complexity of the anodic dissolution process. CoCuNiTi HEACs reinforced by cBN can simultaneously improve the wear and corrosion resistance of the surface of the 45-steel substrate, providing a feasible strategy for the design of high-performance protective coatings. Full article
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14 pages, 2836 KB  
Article
Effect of Silicon Addition on the Phase Symmetry and Microstructural Stability of High-Entropy Alloys During Heat Treatment
by Sheetal Kumar Dewangan
Symmetry 2026, 18(4), 589; https://doi.org/10.3390/sym18040589 - 30 Mar 2026
Cited by 1 | Viewed by 466
Abstract
This study investigates the role of silicon (Si) addition in governing the evolution of phase symmetry and microstructural stability in a high-entropy alloy (HEA) synthesized via powder metallurgy. Mechanically alloyed powders were consolidated through conventional sintering, followed by systematic heat treatment to examine [...] Read more.
This study investigates the role of silicon (Si) addition in governing the evolution of phase symmetry and microstructural stability in a high-entropy alloy (HEA) synthesized via powder metallurgy. Mechanically alloyed powders were consolidated through conventional sintering, followed by systematic heat treatment to examine symmetry-driven phase transformations. Particular attention is given to the symmetry relationship between body-centered cubic (BCC) and face-centered cubic (FCC) crystal structures and their compositional stabilization mechanisms. X-ray diffraction and microstructural analyses reveal that Si incorporation modifies lattice symmetry, promotes controlled phase transformation, and influences the balance between competing crystallographic phases. The addition of Si contributes to symmetry stabilization by reducing heterogeneity in lattice distortion and suppressing grain coarsening during thermal exposure. These findings demonstrate that compositional tuning can regulate structural symmetry and phase equilibrium in multicomponent alloy systems. The work provides insight into symmetry-controlled material design strategies for enhancing the thermal robustness and structural reliability of HEAs for high-temperature applications. Full article
(This article belongs to the Special Issue Symmetry Studies in Metals & Alloys)
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24 pages, 3793 KB  
Article
Microstructure and Dynamic Properties of CrMnFeCoNi(Al)8 Laser Cladding Coatings on Urban Rail Wheels
by Xu Zhang, Peixin Wei, Yuqing Wang, Bingzhi Chen, Wenfang Dong and Xianglong Cao
Materials 2026, 19(6), 1173; https://doi.org/10.3390/ma19061173 - 17 Mar 2026
Viewed by 464
Abstract
Urban rail wheels endure prolonged exposure to frequent starts and stops, heavy cyclic loads, and complex track conditions, which often lead to premature failure modes such as wear, fatigue cracking, and corrosion in conventional wheel materials. These limitations restrict their ability to meet [...] Read more.
Urban rail wheels endure prolonged exposure to frequent starts and stops, heavy cyclic loads, and complex track conditions, which often lead to premature failure modes such as wear, fatigue cracking, and corrosion in conventional wheel materials. These limitations restrict their ability to meet the evolving demands of modern rail systems for enhanced durability and performance. To address this, the present study uses laser cladding to deposit high-entropy alloy coatings with systematically varied aluminium content onto wheel substrates. The study compares phase composition, microstructure, and mechanical properties across the different coatings. Results show that increasing Al content transforms the coating microstructure from a single face-centred cubic (FCC) phase to a dual-phase structure of FCC and body-centred cubic (BCC) phases, accompanied by notable grain refinement. Among the variants, the CrMnFeCoNi(Al)8 coating has the densest microstructure and the most favourable mechanical performance. It achieves a microhardness of 399.62 HV0.5 in the as-clad state and 450 ± 5 HV0.5 after heat treatment, representing an increase of approximately 12.6%. This coating also demonstrates improved corrosion resistance, with an open-circuit potential 0.07 V higher than the CL60 substrate. Multi-body dynamics simulations confirm that the clad wheels maintain excellent operational stability and safety under service conditions. Full article
(This article belongs to the Section Metals and Alloys)
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19 pages, 2162 KB  
Article
Effect of Diamond Content on Microstructure and Wear/Corrosion Resistance of CoCuNiTi + x Diamond (C) (x = 0, 0.5, and 1.0 wt.%) High-Entropy Alloy Coatings
by Mingxing Ma, Runzhen Gang, Zhixin Wang, Ying Dong, Chengjun Zhu, Cun Liang, Liang Zhao, Dachuan Zhu and Deliang Zhang
Coatings 2026, 16(3), 288; https://doi.org/10.3390/coatings16030288 - 27 Feb 2026
Viewed by 463
Abstract
CoCuNiTi HEACs reinforced by different diamond contents were prepared on the surface of 45 steel substrate by laser cladding. Their phase composition, microstructure, elemental composition, and wear/corrosion resistance were investigated using XRD, OM, SEM, EDS, a friction and wear testing machine, and an [...] Read more.
CoCuNiTi HEACs reinforced by different diamond contents were prepared on the surface of 45 steel substrate by laser cladding. Their phase composition, microstructure, elemental composition, and wear/corrosion resistance were investigated using XRD, OM, SEM, EDS, a friction and wear testing machine, and an electrochemical workstation, respectively. The results show that after adding diamond, the phase composition of the sample transforms from the original dual-phase structure of the FCC main phase and BCC to the dual-phase structure of the BCC main phase and FCC. With an increase in the diamond content, the diffraction peak intensity of the alloy phases first increases and then decreases. This behavior is related to the significant enhancement of the alloy phase crystallinity with low diamond addition and the intensified crystal lattice distortion caused by excessive diamond addition. The CoCuNiTi + x Diamond (C) (x = 0, 0.5, and 1.0 wt.%) high-entropy alloys have a dendritic structure. After the addition of diamond, no hole defects were observed in the microstructure, and the dendritic structure was significantly refined. Ti and C are enriched in the primary phase, Cu is enriched in the interdendrite regions, and Co exhibits the highest concentration in the dendrite regions. The segregation coefficients of Ni in all three alloys are relatively small. As the diamond content increases, the friction coefficient of the samples decreases significantly. The 1 wt.% diamond sample exhibits the best wear resistance, primarily owing to the combined effects of superhard phase strengthening, solid solution strengthening, and fine grain strengthening resulting from diamond addition. The sample with 0.5 wt.% diamond addition has the lowest self-corrosion current density, highest polarization resistance, and lowest annual corrosion rate, indicating the best corrosion resistance. This performance is mainly attributed to the refinement of the microstructure, reduction in defects, and formation of a dense passivation film caused by the addition of a small amount of diamond. Full article
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14 pages, 3384 KB  
Article
Sequential Spinodal Decompositions and Ordering Reactions in an As-Quenched Cr39Co18Fe18Ni18Al7 High-Entropy Alloy
by Rosemary Chemeli Korir, Gurumayum Robert Kenedy, Wei-Chun Cheng and Shih-Hsun Chen
Materials 2025, 18(23), 5364; https://doi.org/10.3390/ma18235364 - 28 Nov 2025
Cited by 1 | Viewed by 646
Abstract
Constituent phases and their corresponding phase transformations are important in developing alloys. This study investigates the phase transformations of a Cr39Co18Fe18Ni18Al7 HEA after annealing at and quenching from 1100 °C, 1200 °C and 1300 [...] Read more.
Constituent phases and their corresponding phase transformations are important in developing alloys. This study investigates the phase transformations of a Cr39Co18Fe18Ni18Al7 HEA after annealing at and quenching from 1100 °C, 1200 °C and 1300 °C. The as-quenched alloy exhibits major body-centered cubic (BCC) and minor face-centered cubic (FCC) structures. The volume fraction of the BCC phase progressively increases as the annealing temperature is elevated. Upon cooling, the occurrence of spinodal decomposition in the high-temperature BCC phase leads to the formation of two distinct disordered BCC phases, BCC1 and BCC2, at a high temperature regime. The BCC1 phase acts as the matrix and is lean in Ni and Al concentrations, while the BCC2 phase presents as fine particles and is enriched in Ni and Al. As the temperature decreases, sequential spinodal decompositions occur in both BCC phases, giving rise to other product BCC phases. Upon further cooling, the Ni–Al-enriched BCC phases undergo ordering reactions, transforming into B2 phases. Consequently, the major phases in the matrix and fine particles are BCC and B2, respectively. In addition, the BCC matrix and B2 fine particles also contain B2 and BCC nanoparticles, respectively. The co-clustering and ordering effects of Ni and Al participate in the phase transformations of the as-quenched HEA. Correspondingly, the hardness increases with annealing temperature, which is attributed to the higher BCC phase fraction and the increasing number density of ordered B2 precipitates that collectively strengthen the matrix by impeding dislocation motion. Full article
(This article belongs to the Special Issue High-Entropy Materials: From Principles to Applications)
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30 pages, 11674 KB  
Article
Additive Manufacturing of AlNiCo5 Hard Magnetic Alloy Through Laser Powder Bed Fusion: A Single Scan Track Study of Microstructure and Nanomechanical Integrity
by Leonidas Gargalis, Leonidas Karavias, Aikaterini Argyrou, Evangelia K. Karaxi and Elias P. Koumoulos
Appl. Sci. 2025, 15(23), 12522; https://doi.org/10.3390/app152312522 - 26 Nov 2025
Cited by 2 | Viewed by 1090
Abstract
This paper studies the influence of laser power and scanning speed through single laser scan tracks on AlNiCo5 and SS 304 substrates. Track morphologies and melt pool geometries were assessed to determine the prevailing melting modes. Cracking was observed only on AlNiCo5 substrates, [...] Read more.
This paper studies the influence of laser power and scanning speed through single laser scan tracks on AlNiCo5 and SS 304 substrates. Track morphologies and melt pool geometries were assessed to determine the prevailing melting modes. Cracking was observed only on AlNiCo5 substrates, while SS 304 substrates exhibited crack-free tracks, highlighting the advantages of its ductile FCC structure. Optimal laser powder bed fusion process parameters for AlNiCo5 fabrication were identified as 190 W and 600–900 mm/s for stable conduction melting, while for higher laser power processing, 270 W and 600–800 mm/s provided stable transition melting. Microhardness measurements, nanoindentation, and energy-dispersive X-ray spectroscopy were employed to analyze mechanical properties and compositional variation within the melt pools. Increased laser power led to noticeable dilution of the SS 304 substrate into the AlNiCo5 tracks, reducing the melt pool’s overall microhardness due to altered chemical composition. Nanoindentation analysis further confirmed localized mechanical heterogeneity within the melt pool, with Co- and Al-rich zones showing elevated nanohardness, elastic modulus, and resistance to plastic deformation (H/Er, H3/Er2), while substrate-diluted areas (Cr-enriched) exhibited softening linked to BCC-to-FCC phase transformation. Full article
(This article belongs to the Section Additive Manufacturing Technologies)
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14 pages, 7812 KB  
Article
Study on Microstructures and Properties of FeCoNiCuAlSix High-Entropy Alloy Composite Coatings by Laser Cladding
by Xinyu Zhang, Chun Guo, Guangcan Huang, Zheng Peng, Ruizhang Hu, Qingcheng Lin and Tianyuan Lu
Micromachines 2025, 16(11), 1211; https://doi.org/10.3390/mi16111211 - 24 Oct 2025
Viewed by 908
Abstract
FeCoNiCuAl high-entropy alloys exhibit remarkable mechanical properties; nevertheless, these materials struggle to withstand harsh environments because of their insufficient resistance to wear and corrosion. The addition of Si can significantly enhance the alloy’s high-temperature performance, hardness, and wear resistance, thereby making it more [...] Read more.
FeCoNiCuAl high-entropy alloys exhibit remarkable mechanical properties; nevertheless, these materials struggle to withstand harsh environments because of their insufficient resistance to wear and corrosion. The addition of Si can significantly enhance the alloy’s high-temperature performance, hardness, and wear resistance, thereby making it more suitable for applications in high-temperature or corrosive environments. To overcome these drawbacks, this research investigates how varying Si content affects the microstructure and properties of FeCoNiCuAl coatings. Composite coatings of FeCoNiCuAlSix (x = 0, 0.5, 1.0, 1.5, 2.0) were fabricated on 65 Mn substrates using laser cladding. Various testing methods, including metallographic microscopy, Vickers hardness testing, friction and wear testing, and electrochemical analysis, were employed to examine the phase structure, microstructure, and hardness of the coating. It is observed that the FeCoNiCuAl coating begins with a uniform FCC phase structure. However, as the Si content increases, a phase transformation to the BCC structure occurs. The microstructure is primarily composed of isometric crystals and dendrites that become finer and more compact with higher Si content. For the FeCoNiCuAlSi2.0 coating, the microhardness reaches 581.05 HV0.2. Additionally, wear resistance shows a positive correlation with Si content. Electrochemical testing in NS4 solution shows that the corrosion potential of the coating increases from −0.471 V for FeCoNiCuAl to −0.344 V for FeCoNiCuAlSi2.0, while the corrosion current density decreases from 1.566 × 10−6 A/cm2 to 4.073 × 10−6 A/cm2. These results indicate that Si addition plays a crucial role in enhancing the mechanical properties and corrosion resistance of FeCoNiCuAl coatings, making them more suitable for high-performance applications in extreme environments. Full article
(This article belongs to the Special Issue Future Prospects of Additive Manufacturing, 2nd Edition)
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19 pages, 6400 KB  
Article
Microstructure and Mechanical Property Regulation of As-Cast AlCoCrFeNi2.1Six (x = 0, 0.1, 0.2, 0.3) High-Entropy Alloys
by Rongbin Li, Saiya Li, Jiahao Zhang and Jiaming Tian
Metals 2025, 15(10), 1146; https://doi.org/10.3390/met15101146 - 16 Oct 2025
Cited by 1 | Viewed by 1104
Abstract
Eutectic high-entropy alloys (EHEAs) combine the casting advantages of eutectic alloys with the comprehensive properties of high-entropy alloys, making them a research hotspot in the field of metallic materials. Among them, the AlCoCrFeNi2.1 EHEA has attracted significant attention due to its excellent [...] Read more.
Eutectic high-entropy alloys (EHEAs) combine the casting advantages of eutectic alloys with the comprehensive properties of high-entropy alloys, making them a research hotspot in the field of metallic materials. Among them, the AlCoCrFeNi2.1 EHEA has attracted significant attention due to its excellent strength–toughness balance characteristics. In this study, alloy samples of AlCoCrFeNi2.1Six (x = 0, 0.1, 0.2, 0.3) were prepared to investigate the regulatory effects of trace Si on its phase composition, microstructure, and mechanical properties. The results show that the base alloy AlCoCrFeNi2.1 is composed of an FCC and BCC phase composition. With the increase in the Si content to x = 0.3, the CrSi2 phase gradually precipitates in the alloy, and its microscopic morphology transforms from the regular lamellar to the dendrite and network structure. The introduction of Si significantly enhances the room-temperature microhardness, wear resistance, and yield strength of the alloy through the mechanisms of solid solution strengthening and second phase strengthening. However, an excessive addition leads to a decrease in ductility and toughness. This study reveals the role of Si in phase control and the strengthening and toughening mechanism of eutectic high-entropy alloys, providing experimental evidence and a theoretical reference for the design of high-performance silicon-modified high-entropy alloys. Full article
(This article belongs to the Section Entropic Alloys and Meta-Metals)
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12 pages, 1988 KB  
Article
The Superconducting Properties of Elemental Pb Under Pressure
by Shu-Ke Xuan, Yuan-Fang Yue, Xiao-Ming Li and Xun-Wang Yan
Condens. Matter 2025, 10(3), 49; https://doi.org/10.3390/condmat10030049 - 12 Sep 2025
Viewed by 2216
Abstract
Based on first-principles calculations, we systematically investigate the crystal structure, electronic structure, and superconductivity of metallic lead under pressure. The results show that with the increase of pressure, the crystal structure of lead evolves from face-centered cubic (fcc) to hexagonal close-packed (hcp) and [...] Read more.
Based on first-principles calculations, we systematically investigate the crystal structure, electronic structure, and superconductivity of metallic lead under pressure. The results show that with the increase of pressure, the crystal structure of lead evolves from face-centered cubic (fcc) to hexagonal close-packed (hcp) and then to body-centered cubic (bcc). In different crystal structure phases, the variation laws of electronic structure and superconducting properties with pressure are studied. It is found that the superconducting transition temperature decreases with the increase of pressure in fcc, hcp, and bcc phases. The physical mechanism for this change is explained. The calculation results indicate that elemental metallic lead remains metallic with the increase of pressure, but the electron density of states at the Fermi level decreases, leading to the decrease of the electron-phonon coupling constant (λ) and superconducting transition temperature (Tc) from 7.1 K to 0.04 K. In addition, with the increase of pressure, there is no phenomenon of s electrons transforming into d electrons, which is different from the superconducting behavior of zirconium metal under pressure. These studies explain the superconductivity of elemental metallic lead under high pressure and provide theoretical support for the experiments and applications of lead-based superconductors. Full article
(This article belongs to the Section Superconductivity)
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15 pages, 4040 KB  
Article
The Mechanism of Microcrack Initiation in Fe-C Alloy Under Tensile Deformation in Molecular Dynamics Simulation
by Yanan Zeng, Xiangkan Miao, Yajun Wang, Yukang Yuan, Bingbing Ge, Lanjie Li, Kanghua Wu, Junguo Li and Yitong Wang
Materials 2025, 18(16), 3865; https://doi.org/10.3390/ma18163865 - 18 Aug 2025
Cited by 1 | Viewed by 1020
Abstract
The microcrack initiation and evolution behavior of Fe-C alloy under uniaxial tensile loading are investigated using molecular dynamics (MD) simulations. The model is stretched along the z-axis at a strain rate of 2 × 109 s−1 and temperatures ranging from [...] Read more.
The microcrack initiation and evolution behavior of Fe-C alloy under uniaxial tensile loading are investigated using molecular dynamics (MD) simulations. The model is stretched along the z-axis at a strain rate of 2 × 109 s−1 and temperatures ranging from 300 to 1100 K, aiming to elucidate the microscopic deformation mechanisms during crack evolution under varying thermal conditions. The results indicate that the yield strength of Fe-C alloy decreases with a rising temperature, accompanied by a 25.2% reduction in peak stress. Within the temperature range of 300–700 K, stress–strain curves exhibit a dual-peak trend: the first peak arises from stress-induced transformations in the internal crystal structure, while the second peak corresponds to void nucleation and growth. At 900–1100 K, stress curves display a single-peak pattern, followed by rapid stress decline due to accelerated void coalescence. Structural evolution analysis reveals sequential phase transitions: initial BCC-to-FCC and -HCP transformations occur during deformation, followed by reversion to BCC and unidentified structures post-crack formation. Elevated temperatures enhance atomic mobility, increasing the proportion of disordered/unknown structures and accelerating material failure. Higher temperatures promote faster potential energy equilibration, primarily through accelerated void growth, which drives rapid energy dissipation. Full article
(This article belongs to the Section Metals and Alloys)
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21 pages, 8080 KB  
Article
Microstructural and Mechanical Characterization of Co-Free AlxTixCrFe2Ni High-Entropy Alloys
by Róbert Kočiško, Ondrej Milkovič, Patrik Petroušek, Gabriel Sučik, Dávid Csík, Karel Saksl, Ivan Petryshynets, Karol Kovaľ and Pavel Diko
Metals 2025, 15(8), 896; https://doi.org/10.3390/met15080896 - 10 Aug 2025
Cited by 1 | Viewed by 1344
Abstract
This study investigates the effect of Alx and Tix content (x = 0.1, 0.2, 0.3, 0.4, 0.5, and 0.6) on the microstructural evolution and mechanical properties of Co-free high-entropy AlxTixCrFe2Ni alloys in both as-cast and [...] Read more.
This study investigates the effect of Alx and Tix content (x = 0.1, 0.2, 0.3, 0.4, 0.5, and 0.6) on the microstructural evolution and mechanical properties of Co-free high-entropy AlxTixCrFe2Ni alloys in both as-cast and homogenized conditions. The research focused on the characterization of structural features, melting behavior, and mechanical performance. Microstructural characterization was carried out using optical microscopy, scanning electron microscopy (SEM), electron backscatter diffraction (EBSD), X-ray diffraction (XRD), and differential thermal analysis (DTA). Mechanical properties were evaluated through Vickers hardness testing and uniaxial compression tests. Increasing the Al and Ti content induced a transformation from a single-phase FCC structure to a dual-phase BCC structure, with the primary BCC phase strengthened by spherical precipitates rich in Al, Ti, and Ni. Homogenization annealing at 1100 °C led to an overall improvement in the mechanical properties. The Al0.3Ti0.3CrFe2Ni alloy exhibited the most balanced combination of strength and ductility after annealing, achieving a compressive yield strength of 1510 MPa, a compressive strength of 3316 MPa, and a compressive plastic strain of 45%. Full article
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