Sign in to use this feature.

Years

Between: -

Subjects

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Journals

Article Types

Countries / Regions

Search Results (92)

Search Parameters:
Keywords = multi-principal element alloys

Order results
Result details
Results per page
Select all
Export citation of selected articles as:
21 pages, 11004 KB  
Article
Tailoring Mechanical and Soft Magnetic Properties in (Fe7Co6Ni6)93-xTaxAl7 Multi-Principal Element Alloys: The Role of Ta Addition
by Shizhan Zhang, Wei Wang, Mingyang Li, Zhaoyang Cheng, Jing Liu and Yao Qiu
Materials 2026, 19(12), 2509; https://doi.org/10.3390/ma19122509 - 10 Jun 2026
Viewed by 169
Abstract
The growing demand for high-strength and low-core-loss soft magnetic materials in high-efficiency energy conversion devices necessitates the development of novel alloys that combine excellent mechanical and soft magnetic properties. This work investigated the effect of Ta content on the microstructure and properties of [...] Read more.
The growing demand for high-strength and low-core-loss soft magnetic materials in high-efficiency energy conversion devices necessitates the development of novel alloys that combine excellent mechanical and soft magnetic properties. This work investigated the effect of Ta content on the microstructure and properties of as-cast (Fe7Co6Ni6)93-xTaxAl7 (x = 3, 5, 7) multiprincipal element alloys (MPEAs). Microstructural characterization and mechanical and magnetic testing were conducted using scanning transmission electron microscopy (STEM), tensile testing, and vibrating sample magnetometry (VSM). The alloys featured an FCC matrix, in which Ta addition led to the precipitation of a Ta-rich Laves phase and significant grain refinement. The Ta5 alloy demonstrated an optimal balance of properties, with a yield strength approaching 992 MPa, an elongation of 10%, a saturation magnetization (Ms) of 94.16 emu/g, and a coercivity of 6.69 Oe, indicating a good balance of strength, ductility, and soft magnetic performance. An appropriate amount of Ta enhanced strength via precipitation and grain-boundary strengthening, while the Ms showed only a moderate reduction. Full article
(This article belongs to the Section Metals and Alloys)
Show Figures

Figure 1

4 pages, 152 KB  
Editorial
Advances in High-Entropy Alloys’ Microstructure, Properties and Preparation
by Chao Yang
Metals 2026, 16(6), 607; https://doi.org/10.3390/met16060607 - 31 May 2026
Viewed by 239
Abstract
High-entropy alloys (HEAs), medium-entropy alloys (MEAs), and related multi-principal-element materials have significantly broadened the conceptual framework of alloy design by moving beyond conventional alloy systems centered on one principal element [...] Full article
18 pages, 13329 KB  
Article
In Situ Fabrication of FexNiyCrzCoaTibMoc High-Entropy Alloy Coating by Rotating Arc Cladding
by Xueping Guo, Jian Liu, Xian Du, Shaofu Huang, Jun Liu, Jing Li, Zhihai Cai and Binggong Yan
J. Manuf. Mater. Process. 2026, 10(5), 177; https://doi.org/10.3390/jmmp10050177 - 18 May 2026
Viewed by 355
Abstract
This study utilized a twisted wire rotating arc cladding method to in situ fabricate a Fe-containing multi-principal element alloy (HPEA) coating derived from NiCrCoTiMo stranded wire on 45 steel (equivalent to AISI 1045 steel). The macroscopic morphology, microstructure, mechanical properties, and electrochemical corrosion [...] Read more.
This study utilized a twisted wire rotating arc cladding method to in situ fabricate a Fe-containing multi-principal element alloy (HPEA) coating derived from NiCrCoTiMo stranded wire on 45 steel (equivalent to AISI 1045 steel). The macroscopic morphology, microstructure, mechanical properties, and electrochemical corrosion behavior of the prepared coatings were examined. The coating exhibited no visible cracks or pores and displayed a dual-phase face-centered cubic (FCC) + body-centered cubic (BCC) structure, with an average grain size of 78 μm for the FCC phase and 1 μm for the BCC phase. The microhardness of the coating is approximately 381.3 HV0.1. Compared to 45 steel, the coating’s coefficient of friction (COF) decreased from 0.6265 to 0.5125, representing an 18.2% reduction. The calculated wear rate of the coating was 1.47 × 10−5 mm3/N·m, approximately six times lower than that of 45 steel (8.93 × 10−5 mm3/N·m). Electrochemical testing revealed that the coating’s open-circuit potential (OCP) was −0.405 V vs. the saturated calomel electrode (SCE), with a corrosion potential (Ecorr) of −0.556 V vs. SCE and a corrosion current density (Icorr) of 4.458 × 10−6 A/cm2. In comparison, 45 steel exhibited an OCP of −0.582 V vs. SCE, with corrosion parameters of Ecorr = −0.840 V vs. SCE and Icorr = 1.302 × 10−5 A/cm2. These results demonstrate the superior corrosion resistance and wear performance of the coating, underscoring its potential for applications in challenging environments that demand enhanced material durability. Full article
Show Figures

Figure 1

29 pages, 6559 KB  
Review
Advances in Additively Manufactured Multi-Principal Element Alloys for Turbine Blades in Next Generation Jet Engines
by Kenneth Looby, Nadir Yilmaz, Peter Omoniyi, Abimbola Ojomo, Mehdi Amiri, Olu Bamiduro and Gbadebo Owolabi
Aerospace 2026, 13(5), 395; https://doi.org/10.3390/aerospace13050395 - 22 Apr 2026
Viewed by 1244
Abstract
In the 21st century, the desire for improved fuel efficiency of engines, lower fuel prices, and the need to reduce greenhouse gas emissions such as CO2 and NOx are leading the aviation industry to seek hybrid-electric jet engines for [...] Read more.
In the 21st century, the desire for improved fuel efficiency of engines, lower fuel prices, and the need to reduce greenhouse gas emissions such as CO2 and NOx are leading the aviation industry to seek hybrid-electric jet engines for commercial aircraft. These aircraft will have greater maintenance challenges due to additional components requiring more reliable materials for the engine’s parts, such as turbine blades. Turbine blades must be composed of materials that have enhanced fatigue performance. Resistance to dynamic loads and high strength will be needed to ensure modern gas turbine blades are as reliable as possible. This review paper examines hybrid-electric engine turbine blades and subsequently introduces additive manufacturing (AM) and multi-principal element alloys (MPEAs) with a focus on laser powder bed fusion (LPBF), high-entropy alloys (HEAs), and medium-entropy alloys (MEAs). The tensile properties of LPBF HEAs range from 5 to 47% elongation and a UTS of 572–1640 MPa, while LPBF MEAs range from 8 to 73.9% and a UTS of 573–1382 MPa. This study focused on dynamic and fatigue properties while acknowledging gaps in high-temperature testing. The combination of mechanical properties with the ability to control internal geometry makes these AM alloys an attractive option for the next generation of gas turbine blades. Full article
(This article belongs to the Special Issue Airworthiness, Safety and Reliability of Aircraft)
Show Figures

Figure 1

15 pages, 25895 KB  
Article
High-Temperature Oxidation Behavior of AlxCoCr0.5NiPt0.1 (x = 0.5, 1.0) Multi-Principal Element Alloys at 1100 °C
by Olga Samoilova, Svetlana Pratskova, Polina Plotnikova, Nataliya Shaburova, Mariappan Anandkumar and Evgeny Trofimov
Metals 2026, 16(4), 439; https://doi.org/10.3390/met16040439 - 17 Apr 2026
Viewed by 436
Abstract
The microstructure, phase composition, and high-temperature oxidation behavior of Al0.5CoCr0.5NiPt0.1 and AlCoCr0.5NiPt0.1 multi-principal element alloys (MPEAs) at 1100 °C in air were investigated. Depending on the content of aluminum, the microstructure of as-cast samples contains [...] Read more.
The microstructure, phase composition, and high-temperature oxidation behavior of Al0.5CoCr0.5NiPt0.1 and AlCoCr0.5NiPt0.1 multi-principal element alloys (MPEAs) at 1100 °C in air were investigated. Depending on the content of aluminum, the microstructure of as-cast samples contains FCC and BCC solid solutions. Similarly, the ratio of two solid solutions varies depending on the aluminum content in the alloy. When the content of aluminum is x = 0.5, the microstructure is dominated by the FCC solid solution, while a BCC solid solution is dominated when the concentration of aluminum is increased to x = 1.0. Moreover, in both MPEAs, platinum exists as a part of solid solutions rather than a separate phase. High-temperature oxidation was carried out in a Plavka.Pro PM-1 SmartKiln muffle furnace under isothermal conditions at 1100 °C for 100 h exposure in air, and weighing was performed every 10 h. The maximum specific weight gain for the Al0.5CoCr0.5NiPt0.1 alloy was 0.965 mg/cm2, and 0.675 mg/cm2 for the AlCoCr0.5NiPt0.1 alloy. Based on the high-temperature oxidation experiment results, it was established that AlCoCr0.5NiPt0.1 MPEA exhibits greater resistance towards high-temperature dry air corrosion with the formation of an exclusive Al2O3 scale on the surface with 3–5 μm thickness; the parabolic oxidation rate constant for this alloy is kp = 20.2 × 10–13 (g2/cm4s). Introduction of platinum into the composition of the Fe-free AlCoCr0.5Ni alloy reduces the value of the parabolic oxidation rate constant by half. Full article
(This article belongs to the Section Entropic Alloys and Meta-Metals)
Show Figures

Figure 1

17 pages, 7994 KB  
Article
Superior Strength-Ductility Synergy Enabled by Dual-Level Heterostructure of L12 Precipitates and Local Chemical Order in a MPEA
by Jingjing Zhang, Yongfeng Shen, Wenying Xue and Zhijian Fan
Nanomaterials 2026, 16(7), 418; https://doi.org/10.3390/nano16070418 - 30 Mar 2026
Viewed by 475
Abstract
The trade-off between strength and ductility remains a pivotal challenge in the development of multi-principal element alloys (MPEAs) for structural applications. Here, we report a dual-scale ordering strategy to achieve triple strengthening in a Ni-26.6Co-18.4Cr-5.4Nb-4.1Mo-2.3Al-0.3Ti-0.05Y (wt.%) MPEA through the synergistic interplay of L1 [...] Read more.
The trade-off between strength and ductility remains a pivotal challenge in the development of multi-principal element alloys (MPEAs) for structural applications. Here, we report a dual-scale ordering strategy to achieve triple strengthening in a Ni-26.6Co-18.4Cr-5.4Nb-4.1Mo-2.3Al-0.3Ti-0.05Y (wt.%) MPEA through the synergistic interplay of L12 nanoprecipitates and local chemical order (LCO). The alloy was processed via cold rolling followed by aging at 750 °C for 8 h, resulting in a high density of coherent L12 precipitates (average size 47 ± 1 nm, volume fraction ~27%) with an ultra-low lattice misfit of 0.5%. Additionally, sub-nanoscale LCO domains with an average diameter of 0.62 nm were identified within the face-centered cubic matrix. This hierarchical microstructure yields an exceptional combination of mechanical properties at room temperature: yield strength of 1480 ± 6 MPa, ultimate tensile strength of 1678 ± 10 MPa, and a total elongation of 13.9 ± 0.2%. Quantitative strengthening analysis reveals that precipitation strengthening (697 MPa) is the dominant contributor, followed by dislocation strengthening (397 MPa). Transmission electron microscopy characterization of deformed samples reveals that the low stacking fault energy, promoted by LCO, facilitates the dissociation of perfect dislocations and the formation of extensive stacking faults. The intersection of stacking faults on different {111} planes generates a large number of Lomer–Cottrell locks, which significantly enhance work hardening and delay plastic instability. The findings demonstrate that engineering dual-scale ordered structures offers a promising pathway for developing MPEAs with a superior strength-ductility combination. Full article
(This article belongs to the Special Issue Innovative Nanomaterials for Enhanced Steel and Alloy Performance)
Show Figures

Figure 1

22 pages, 5861 KB  
Article
Processing–Microstructure–Property Relationships in a Cu-Rich FeCrMnNiAl High-Entropy Alloy Fabricated by Laser and Electron Beam Powder Bed Fusion
by David Maximilian Diebel, Thomas Wegener, Zhengfei Hu and Thomas Niendorf
Materials 2026, 19(6), 1174; https://doi.org/10.3390/ma19061174 - 17 Mar 2026
Viewed by 449
Abstract
A Cu-containing FeCrMnNiAl multi-principal element alloy was processed by laser-based and electron beam-based powder bed fusion (PBF-LB/M and PBF-EB/M) to investigate processing–microstructure–property relationships. In focus were alloy variants with a relatively high Cu content. Two PBF-LB/M scan strategies, employing a Gaussian beam with [...] Read more.
A Cu-containing FeCrMnNiAl multi-principal element alloy was processed by laser-based and electron beam-based powder bed fusion (PBF-LB/M and PBF-EB/M) to investigate processing–microstructure–property relationships. In focus were alloy variants with a relatively high Cu content. Two PBF-LB/M scan strategies, employing a Gaussian beam with and without a re-scan with a laser featuring a flat-top profile, were compared to PBF-EB/M processing, followed by heat-treatments between 300 °C and 1000 °C. The phase constitution, elemental partitioning and grain boundary characteristics were analyzed by X-ray diffraction, electron backscatter diffraction and energy-dispersive X-ray spectroscopy. Mechanical behavior was assessed by hardness and tensile testing. Both manufacturing routes promoted the evolution of stable multi-phase microstructures composed of face-centered-cubic (FCC)- and body-centered-cubic (BCC)-type phases across all heat-treatment conditions. PBF-LB/M processing resulted in finer, dendritic microstructures and suppressed formation of a Cu-rich FCC phase due to higher cooling rates, whereas PBF-EB/M promoted the evolution of Cu-rich FCC segregates and equiaxed grain morphologies. Heat-treatment above 700 °C led to recrystallization, accompanied by an increase of the FCC phase fraction, grain coarsening, and recovery. At lower heat-treatment temperatures, the changes in microstructure are different. Here, it is assumed that small, non-clustered Cu-rich precipitates formed at the grain and sub-grain boundaries, although this assumption is only based on the assessment of the mechanical properties. The size of these precipitates is below the resolution limit of the techniques applied for analysis in the present work. Additional structures seen within the Cu-rich areas of PBF-EB/M-manufactured samples treated at lower temperatures also seem to have an influence on the hardness and yield strength. All of the conditions investigated exhibited pronounced brittleness, limiting reliable tensile property evaluation and indicating the need for further optimization of processing strategies and microstructural control for high-Cu-fraction-containing multi-principal element alloys. Full article
(This article belongs to the Section Metals and Alloys)
Show Figures

Figure 1

11 pages, 7388 KB  
Article
Al-Induced Unusual Grain Growth in Ni-Co-Cr Multi-Principal Element Alloys
by Kexuan Zhou, Siqi Wu, Yan Zhou, Yanjun Zhang, Xiaoxin Lei, Xin Wang, Xiaoyong Xu, Wenhao Gong, Yue Li and Zhijun Wang
Materials 2026, 19(3), 505; https://doi.org/10.3390/ma19030505 - 27 Jan 2026
Viewed by 517
Abstract
Substitutional elements are introduced to face-centered cubic (FCC) multi-principal element alloys (MPEAs) to effectively enhance the mechanical performance by solid solution strengthening and second-phase strengthening. Commonly, relatively large atomic radius elements introduced into the alloy matrix result in lattice distortion and hinder grain [...] Read more.
Substitutional elements are introduced to face-centered cubic (FCC) multi-principal element alloys (MPEAs) to effectively enhance the mechanical performance by solid solution strengthening and second-phase strengthening. Commonly, relatively large atomic radius elements introduced into the alloy matrix result in lattice distortion and hinder grain boundary migration, thus achieving matrix strengthening. However, owing to the complex compositions of MPEAs, different substitutional elements introduced affect the microstructure evolution behavior and corresponding strengthening effects. In this work, an abnormal grain growth behavior of Ni-Co-Cr-based MPEAs based on Al alloying was observed. Systematic annealing experiments combined with quantitative grain growth analysis were conducted to clarify the effects of Al, W, and Mo on grain boundary migration. The results show that substitutional Al reduces the apparent activation energy for grain growth, resulting in both a lower grain growth component (n = 2) and a lower activation energy for grain growth of 219 kJ/mol, thereby enhancing grain boundary mobility. On the contrary, minor additions of high-melting-point W and Mo effectively inhibited the Al-induced rapid grain growth by increasing the activation energy and resulting in a higher grain growth component and a lower activation energy for grain growth of 251 kJ/mol. These findings provide new insights into the role of substitutional solutes in controlling grain growth kinetics in multi-principal element alloys. Full article
Show Figures

Figure 1

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
Cited by 1 | Viewed by 709
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)
Show Figures

Figure 1

55 pages, 3943 KB  
Review
Latest Advancements and Mechanistic Insights into High-Entropy Alloys: Design, Properties and Applications
by Anthoula Poulia and Alexander E. Karantzalis
Materials 2025, 18(24), 5616; https://doi.org/10.3390/ma18245616 - 14 Dec 2025
Cited by 13 | Viewed by 3257
Abstract
High-entropy alloys (HEAs) are a class of multi-principal element materials composed of five or more elements in near-equimolar ratios. This unique compositional design generates high configurational entropy, which stabilizes simple solid solution phases and reduces the tendency for intermetallic compound formation. Unlike conventional [...] Read more.
High-entropy alloys (HEAs) are a class of multi-principal element materials composed of five or more elements in near-equimolar ratios. This unique compositional design generates high configurational entropy, which stabilizes simple solid solution phases and reduces the tendency for intermetallic compound formation. Unlike conventional alloys, HEAs exhibit a combination of properties that are often mutually exclusive, such as high strength and ductility, excellent thermal stability, superior corrosion and oxidation resistance. The exceptional mechanical performance of HEAs is attributed to mechanisms including lattice distortion strengthening, sluggish diffusion, and multiple active deformation pathways such as dislocation slip, twinning, and phase transformation. Advanced characterization techniques such as transmission electron microscopy (TEM), atom probe tomography (APT), and in situ mechanical testing have revealed the complex interplay between microstructure and properties. Computational approaches, including CALPHAD modeling, density functional theory (DFT), and machine learning, have significantly accelerated HEA design, allowing prediction of phase stability, mechanical behavior, and environmental resistance. Representative examples include the FCC-structured CoCrFeMnNi alloy, known for its exceptional cryogenic toughness, Al-containing dual-phase HEAs, such as AlCoCrFeNi, which exhibit high hardness and moderate ductility and refractory HEAs, such as NbMoTaW, which maintain ultra-high strength at temperatures above 1200 °C. Despite these advances, challenges remain in controlling microstructural homogeneity, understanding long-term environmental stability, and developing cost-effective manufacturing routes. This review provides a comprehensive and analytical study of recent progress in HEA research (focusing on literature from 2022–2025), covering thermodynamic fundamentals, design strategies, processing techniques, mechanical and chemical properties, and emerging applications, through highlighting opportunities and directions for future research. In summary, the review’s unique contribution lies in offering an up-to-date, mechanistically grounded, and computationally informed study on the HEAs research-linking composition, processing, structure, and properties to guide the next phase of alloy design and application. Full article
(This article belongs to the Special Issue New Advances in High Entropy Alloys)
Show Figures

Graphical abstract

21 pages, 7800 KB  
Article
Effects of Rolling Parameters on Stress–Strain Fields and Texture Evolution in Al–Cu–Sc Alloy Sheets
by Guoge Zhang, Lijie Liu, Tuo Li, Shan Tang and Bo Gao
Materials 2025, 18(23), 5414; https://doi.org/10.3390/ma18235414 - 1 Dec 2025
Cited by 1 | Viewed by 887
Abstract
This work examines how rolling speed, feeding rate, and pass schedule—with a constant total reduction—affect the stress–strain fields, rolling force, and texture evolution of Al–Cu–Sc alloy sheets. A coupled finite element (FEM) and viscoplastic self-consistent (VPSC) framework is employed and compared with EBSD [...] Read more.
This work examines how rolling speed, feeding rate, and pass schedule—with a constant total reduction—affect the stress–strain fields, rolling force, and texture evolution of Al–Cu–Sc alloy sheets. A coupled finite element (FEM) and viscoplastic self-consistent (VPSC) framework is employed and compared with EBSD measurements to connect macroscopic fields with microscale texture changes. Results indicate that increasing rolling speed raises the effective strain rate and deformation heating, which lowers peak rolling force and improves in-plane stress homogenization on the RD–ND plane, while enhancing surface–core incompatibility and residual-stress gradients along the ND–TD direction. A higher feeding rate mainly intensifies work hardening, slightly elevates rolling force, and promotes near-surface stress/strain localization; in contrast, multi-pass schedules redistribute deformation between passes and reduce macroscopic stress concentration. Texture analyses show a speed-induced rotation from 001 toward 111 orientations, strengthening shear-related components; KAM maps suggest increased local orientation gradients consistent with higher stored energy. The simulations capture the principal experimental trends across conditions, supporting the use of the combined framework for trend-level process guidance. Overall, the findings clarify parameter–microstructure relationships and provide a basis for designing rolling routes that balance force reduction, stress uniformity, and texture control in Al–Cu–Sc sheets. Full article
Show Figures

Figure 1

21 pages, 6220 KB  
Review
High-Entropy Alloys for Electrocatalytic Water Oxidation: Recent Advances on Mechanism and Design
by Luyu Liu, Xiang Ding, Haotian Qin, Siyuan Tang, Linlin Xu and Fuzhan Song
Chemistry 2025, 7(6), 190; https://doi.org/10.3390/chemistry7060190 - 28 Nov 2025
Cited by 8 | Viewed by 2783
Abstract
Hydrogen energy has been regarded as a promising alternative to fossil fuels due to its high energy density and zero-pollution combustion nature. Compared to other hydrogen generation technologies, water electrolysis provides a promising route for high-purity hydrogen production. Therefore, the development of efficient [...] Read more.
Hydrogen energy has been regarded as a promising alternative to fossil fuels due to its high energy density and zero-pollution combustion nature. Compared to other hydrogen generation technologies, water electrolysis provides a promising route for high-purity hydrogen production. Therefore, the development of efficient electrocatalysts is of great significance. Particularly, high-entropy engineering strategies supply a novel multi-principal element catalyst platform due to their unique structural and electronic properties. This work systematically summarizes recent advancements on high-entropy alloys (HEAs) catalysts on electrocatalytic water oxidation. Especially, it focuses on elucidating two competing fundamental mechanisms: the adsorbate evolution mechanism (AEM) and the lattice oxygen-mediated mechanism (LOM), via high-entropy engineering, which can efficiently modulate electronic configurations and adsorption/desorption behavior. This work aims to supply a theoretical foundation and rational design principles for developing next-generation OER catalysts with high activity and stability. Full article
Show Figures

Figure 1

15 pages, 4678 KB  
Article
Dislocation Behavior in TiVTa Multi-Principal Element Alloys: A Nanoindentation Simulation Study
by Shumin Wang, Jin Wang, Jinli Cao, Xinfu He and Yankun Dou
Crystals 2025, 15(11), 941; https://doi.org/10.3390/cryst15110941 - 31 Oct 2025
Viewed by 607
Abstract
Molecular dynamics simulations of nanoindentation were conducted to compare the dislocation behavior in a pure V and a TiVTa multi-principal element alloy (MPEA) with [100] and [111] crystal orientations. It is found that the significant resistance to dislocation motion and loop formation in [...] Read more.
Molecular dynamics simulations of nanoindentation were conducted to compare the dislocation behavior in a pure V and a TiVTa multi-principal element alloy (MPEA) with [100] and [111] crystal orientations. It is found that the significant resistance to dislocation motion and loop formation in the TiVTa MPEA compared to pure V, attributed to its substantial lattice distortion. While dislocation nucleation was heterogeneous in both materials with similar activation volumes and nucleation stresses (approximately 0.2 G), the dislocation density and plastic zone volume in TiVTa were substantially lower. Under standard indentation conditions, independent dislocation loops readily formed in pure V but were absent in TiVTa. With a larger indenter size and a greater nanoindentation depth, the results demonstrated that forming loops in TiVTa requires significantly higher force, directly linking this effect to the hindrance of dislocation glide by chemical disorder and lattice distortion. This study provides atomic-scale insights into the deformation mechanisms of TiVTa MPEAs, offering guidelines for future alloy design. Full article
Show Figures

Figure 1

10 pages, 329 KB  
Article
Machine Learning Phase Classification of Thermoelectric Materials
by Chung T. Ma and S. Joseph Poon
Materials 2025, 18(20), 4726; https://doi.org/10.3390/ma18204726 - 15 Oct 2025
Viewed by 1242
Abstract
In this study, we employ a Support Vector Machine (SVM) model to efficiently classify the phases of thermoelectric (TE) alloys. While ab initio calculations and experiments have explored the phases of functional TE materials, the large variety of alloys makes these explorations time-consuming [...] Read more.
In this study, we employ a Support Vector Machine (SVM) model to efficiently classify the phases of thermoelectric (TE) alloys. While ab initio calculations and experiments have explored the phases of functional TE materials, the large variety of alloys makes these explorations time-consuming and expensive. Therefore, there is a critical need for time-efficient methods to accelerate the discovery and development of new TE materials. Recently, machine learning (ML) classification models have been applied to predict material phases, including those of multi-principal element alloys. Using an SVM to classify phases of TE alloys, our results demonstrate that the model achieves prediction accuracies ranging from 77% to 92%. Additionally, cross-validation across various TE phases is performed to demonstrate the model’s robustness in phase differentiation. This work offers a time-efficient computational approach to distinguish TE material phases, offering valuable insights that can aid in the evaluation and design of high-performance thermoelectric materials. Full article
Show Figures

Figure 1

21 pages, 2411 KB  
Article
A Composition Design Strategy for Refractory High-Entropy Alloys
by Faling Ren, Yilong Hu, Ruitao Qu and Feng Liu
Materials 2025, 18(19), 4493; https://doi.org/10.3390/ma18194493 - 26 Sep 2025
Cited by 4 | Viewed by 1836
Abstract
How to rationally design composition of alloys with desired properties has always been an open and challenging question, especially for high-entropy alloy (HEA) which has huge selections of composition due to the feature of multi-principal elements. Although great efforts have been made in [...] Read more.
How to rationally design composition of alloys with desired properties has always been an open and challenging question, especially for high-entropy alloy (HEA) which has huge selections of composition due to the feature of multi-principal elements. Although great efforts have been made in the past decades, such as approaches based on thermo-kinetic analysis and simulations, strategies to quick determine the optimal HEA composition remain lacking. In this study, based on the effective estimations of elastic modulus of alloys from compositions, we proposed a strategy to design intrinsically strong, ductile, and low-weight refractory HEA (RHEA) compositions. First, the Young’s moduli of three RHEAs were experimentally measured using uniaxial tensile test and impulse excitation of vibration (IEV) test. Then, the present results, combining with the data of elastic moduli of ~130 HEAs in literature, were utilized to validate the prediction of elastic moduli from compositions of HEAs. Finally, based on the property maps that containing 38,326 compositions, a novel RHEA was designed and experimentally tested, exhibiting superior strength, ductility, and low density compared to the equimolar NbMoTaVW alloy. This study provides a new strategy for developing HEAs and contributes to the development of new refractory HEAs with desired properties. Full article
(This article belongs to the Special Issue Mechanical Behavior of Advanced High-Strength Alloys)
Show Figures

Graphical abstract

Back to TopTop