High-entropy Alloys Research Articles

Structure and properties of Fe40Mn20Cr20Ti10Al10 high-entropy alloy fabricated by mechanical alloying and spark plasma sintering

Structure and properties of Fe40Mn20Cr20Ti10Al10 high-entropy alloy fabricated by mechanical alloying and spark plasma sintering

Data-driven design of novel lightweight refractory high-entropy alloys with superb hardness and corrosion resistance

AbstractLightweight refractory high-entropy alloys (LW-RHEAs) hold significant potential in the fields of aviation, aerospace, and nuclear energy due to their low density, high strength, high hardness, and corrosion resistance. However, the enormous composition space has severely hindered the development of novel LW-RHEAs with excellent comprehensive performance. In this paper, an machine learning (ML)-based alloy design strategy combined with a multi-objective optimization method was proposed and applied for a rational design of Al-Nb-Ti-V-Zr-Cr-Mo-Hf LW-RHEAs. The quantitative relation of “composition-structure-property” was first established by ML modeling. Then, feature analysis reveals that Cr content greater than 12 at.% is a key criterion for alloys with high corrosion resistance. The phase structure, density, melting point, hardness and corrosion resistance of the alloys were screened layer by layer, and finally, three LW-RHEAs with superb hard and corrosion resistance were successfully designed. Key experimental validation indicates that three target alloys have densities around 6.5 g/cm3, and all alloys are disordered bcc_A2 single-phase with the highest hardness of 593 HV and the largest pitting potential of 2.5 VSCE, which far exceeds all the literature reports. The successful demonstration in this paper clearly demonstrates that the present design strategy driven by the ML technique should be generally applicable to other RHEA systems.

High entropy alloy reinforcement for superior electromagnetic interference shielding performance in carbon fiber‐reinforced polymer composites

AbstractThis study explores the enhancement of electromagnetic interference (EMI) shielding effectiveness (SE) in carbon fiber‐reinforced polymer (CFRP) composites through the integration of equatomic CoCuFeNi high entropy alloy (HEA) particles. Employing mechanical alloying (MA), CoCuFeNi HEA powders were synthesized, revealing a face‐centered cubic structure with crystallite and particle sizes of 14.7 nm and 11.62 μm, respectively. The integration of these HEA particles at concentrations of 5%, 10%, and 15% by weight into epoxy resin, followed by the fabrication of composites using the hand lay‐up technique. Detailed structural analysis of HEA particles confirmed the successful synthesis of equatomic HEAs via MA. Structural analysis of the HEA integrated composites revealed vacancy regions at 5% concentration, a uniform distribution at 10%, and particle agglomeration causing inhomogeneity and vacancies at 15%. The composites demonstrated significant improvements in EMI SE, with the 10% HEA sample showing superior performance compared to the other samples. Specifically, the 10% HEA composite achieved a peak SE of 73.09 dB at 4.72 GHz, attributed to the optimized distribution of HEA particles that enhanced electrical conductivity and reflective properties.Highlights CoCuFeNi HEA particles were successfully synthesized via MA. HEA particles were added to epoxy at 5, 10, and 15 wt% for composite fabrication. Voids were observed in HEA5, uniformity in HEA10, and clustering in HEA15. EMI shielding was assessed using VNA, SE, dielectric permittivity, and magnetic permeability. The HEA10 composite achieved peak EMI shielding, 73.09 dB at 4.72 GHz.

Wear Resistance of N-Doped CoCrFeNiMn High Entropy Alloy Coating on the Ti-6Al-4V Alloy

Wear Resistance of N-Doped CoCrFeNiMn High Entropy Alloy Coating on the Ti-6Al-4V Alloy

Synthesis of AlCrFeMnX-based high-entropy alloys using powder metallurgy and their investigation through thermodynamic perspective

Synthesis of AlCrFeMnX-based high-entropy alloys using powder metallurgy and their investigation through thermodynamic perspective

Phase Stability, Structural Properties, Electronegativity, Mechanical Properties, and Neutron and Gamma-Ray Attenuation Properties of Cantor High Entropy Alloys for Advanced Nuclear Applications

Phase Stability, Structural Properties, Electronegativity, Mechanical Properties, and Neutron and Gamma-Ray Attenuation Properties of Cantor High Entropy Alloys for Advanced Nuclear Applications

Homogenization Heat Treatment of CoCrCuMnNi High-Entropy Alloys: Limitations and Challenges

Homogenization Heat Treatment of CoCrCuMnNi High-Entropy Alloys: Limitations and Challenges

Microstructure and Wear Behavior of AlxCoCuNiTi (x = 0, 0.4, and 1) High-Entropy Alloy Coatings

AlxCoCuNiTi (x = 0, 0.4, and 1) high-entropy alloy coatings on 45 steel substrates were prepared by laser cladding, and their phase structure, microstructure, element partition, and wear behavior were investigated. The results show that the AlxCoCuNiTi (x = 0, 0.4, and 1) coatings have a dual-phase structure of FCC and BCC. With the increase of x from 0 to 1, the content of the FCC phase decreases from 66.9 wt.% to 14.3 wt.%, while the content of the BCC phase increases from 33.1 wt.% to 85.7 wt.%. When x = 0.4, the lattice constants of the two phases are the largest, and their densities are the smallest. The microstructure of the AlxCoCuNiTi (x = 0, 0.4, and 1) coatings is composed of BCC-phase dendrites and FCC-phase interdendrite regions. Ti is mainly enriched in the primary phase or BCC dendrites, Cu is enriched in the interdendrite regions, and Al is enriched in the dendrites. The friction coefficients of AlxCoCuNiTi (x = 0, 0.4, and 1) coatings during wear tests are 0.691, 0.691, and 0.627, respectively. The lowering of the wear friction coefficient when increasing the Al content is mainly related to the change in phase structure, microstructure, and wear mechanism.

Bayesian Learning Aided Theoretical Optimization of IrPdPtRhRu High Entropy Alloy Catalysts for the Hydrogen Evolution Reaction

AbstractThe complex compositional space of high entropy alloys (HEAs) has shown a great potential to reduce the cost and further increase the catalytic activity for hydrogen evolution reaction (HER) by compositional optimization. Without uncovering the specifics of the HER mechanism on a given HEA surface, it is unfeasible to apply compositional modifications to enhance the performance and save costs. In this work, a combination of density functional theory and Bayesian machine learning is used to demonstrate the unique catalytic mechanism of IrPdPtRhRu HEA catalysts for HER. At high coverage of underpotential‐deposited hydrogen, a d‐band investigation of the active sites of the HEA surface is conducted to elucidate the superior catalytic performance through electronic interactions between elements. At low coverage, a novel Bayesian learning with oversampling approach is then outlined to optimize the HEA composition for performance improvement and cost reduction. This approach proves more efficacious and efficient and yields higher‐quality structures with less training set bias compared with neural‐network optimization. The proposed HEA optimization theoretically outperforms benchmark Pt catalysts’ overpotential by ≈40% at a 15% reduced synthesis cost comparing to the equiatomic ratio HEA.

Influence of Cu and Co addition on metallurgical and wear characteristics of AlCrFeNi high entropy alloy

The creation of new alloys with improved qualities has become essential in modern industries for high-performance materials. This work’s main objective is to use vacuum arc melting (VAM) to synthesize two different high-entropy alloys (HEAs): AlCrFeNiCu and AlCrFeNiCo. The mechanical properties, phase composition, grain boundaries, and alloy composition of the HEAs were studied. The predominant crystal structure, the Body-Centred Cubic (BCC) phase was obtained for both alloys. Significantly, the Co-containing HEA showed a smaller particle size than the Cu-containing HEA, which led to a 14.21% increase in microhardness. It indicates that the Co-based HEA will likely perform better than the Cu-based HEA in applications prone to abrasion, and indentation, and requiring high hardness levels based on the observed microstructure and hardness parameters. According to wear surface morphology studies, main effects analysis and ANOVA show that increasing loads and sliding distances increase wear rate, whereas sliding velocity has less effect. The best wear rate-reducing parameters are 10 N, 0.5 m/s, and 500 m for Cu-containing HEAs, and the same can be predicted using regression analysis. The study categorizes the intricate worn surface structure by describing different surface properties and wear mechanisms, such as grooves, delamination, adhesive wear, and pitting.

Structure and corrosion behavior of FeCoCrNiMo high-entropy alloy coatings prepared by mechanical alloying and plasma spraying

Structure and corrosion behavior of FeCoCrNiMo high-entropy alloy coatings prepared by mechanical alloying and plasma spraying

Unconventional Hexagonal Close-Packed High-Entropy Alloy Surfaces Synergistically Accelerate Alkaline Hydrogen Evolution.

Accelerating the alkaline hydrogen evolution reaction (HER), which involves the slow cleavage of HO-H bonds and the adsorption/desorption of hydrogen (H*) and hydroxyl (OH*) intermediates, requires developing catalysts with optimal binding strengths for these intermediates. Here, the unconventional hexagonal close-packed (HCP) high-entropy alloy (HEA) atomic layers are prepared composed of five platinum-group metals to enhance the alkaline HER synergistically. The breakthrough is made by layer-by-layer heteroepitaxial deposition of subnanometer RuRhPdPtIr HEA layers on the HCP Ru seeds, despite the thermodynamic stability of Rh, Pd, Pt, and Ir in a face-centered cubic (FCC) structure except for Ru. The synchrotron X-ray absorption spectroscopy (XAS) confirms the atomic mixing and coordination environment of HCP RuRhPdPtIr HEA. Most importantly, they exhibit notable improvements in both electrocatalytic activity and durability for the HER in an alkaline environment, as compared to their FCC RuRhPdPtIr counterparts. Electrochemical measurements, operando XAS analysis, and density functional theory unveil that the binding strengths of H* and OH* intermediates on the active Pt and Ir sites can be weakened and strengthened to a moderate level, respectively, by mixing non-active Ru, Rh, and Pd atoms with Pt and Ir atoms within the HCP HEA with strong synergistic electronic effects.

Enhancing the surface properties of Ti-6Al-4V with high entropy alloy coating prepared by electron beam cladding

Enhancing the surface properties of Ti-6Al-4V with high entropy alloy coating prepared by electron beam cladding

Realizing synergistic optimization of electrical and thermal transport properties in BiCuSeO ceramics via multi-element doping

In this study, the design of high-entropy alloys (multi-element substitution, Al3+/La3+/Sb3+/Y3+) was used to increase material entropy and improve heat scattering to further reduce thermal conductivity. Concurrently, Ca2+ ion hole doping was used to improve its electrical conductivity. Therefore, a series of Bi0.92−xAl0.02La0.02Sb0.02Y0.02CaxCuSeO (x = 0, 0.02, 0.06, 0.10, and 0.14) ceramics was prepared using a combination of high-energy ball milling and cold isostatic pressing. The multi-element substitution of Al0.02La0.02Sb0.02Y0.02Ca0.02 in the Bi site resulted in a minimum thermal conductivity of 0.35 Wm−1K−1, which is one-third of that of intrinsic BiCuSeO. Simultaneously, the conductivity increased up to 10–20 times that of intrinsic BiCuSeO, proportional to the amount of Ca2+ doping. Furthermore, the optimum component Bi0.82Al0.02La0.02Sb0.02Y0.02Ca0.10CuSeO exhibited an extremely high power factor of 568.55 μWm−1K−2 at 773 K, significantly higher than that of pure BiCuSeO (148.7 μWm−1K−2). Consequently, a peak ZT value of approximately 1.12 was achieved at 773 K, which was 4.48 times higher than that of the pristine BiCuSeO specimen (approximately 0.25). Our findings provide a novel strategy to optimize the thermoelectric properties of BiCuSeO and other materials.

Raman activities of nitrogen reduction and ammonia oxidation intermediates on the high-entropy alloy CoCuFeMoNi catalytic surface.

We developed a computational framework to extract the Raman spectra of nitrogen reduction and ammonia oxidation intermediates on high-entropy alloy (HEA) surfaces, integrating density functional theory with microstructural representations to account for the inherent lattice randomness in these materials. As a case study, we computed the Raman activities of intermediates (N2*, NNH*, N*, NH*, and NH3*) and H* adsorption on CoCuFeMoNi HEA surfaces. A comprehensive map of Raman peaks was generated and assigned to specific vibrational modes. The method highlighted the effects of lattice randomness on the Raman spectra compared to those of adsorbates on single-element catalysts. For instance, our results showed that the adsorbed N2 exhibits Raman modes that are dependent on whether the adsorption is vertical or horizontal. These peak differences could serve as unique fingerprints to identify nitrogen reduction reaction pathways. Moreover, it is also possible to detect surface poisoning by hydrogen, a common issue in reductive environments, due to the high-frequency peaks of H* compared to the typical N-metal stretching and bending frequencies. These results provide valuable references for identifying intermediates in nitrogen reduction and ammonia oxidation reactions, offering insights into reaction mechanisms and potential surface poisoning. This approach is generalizable to other reactions and surfaces in catalysis, provided that the relevant intermediates can be identified.

Effect of Heat Treatment on Microstructure and Aqueous Corrosion Properties of AlCoCrNiFe High Entropy Alloy

Effect of Heat Treatment on Microstructure and Aqueous Corrosion Properties of AlCoCrNiFe High Entropy Alloy

High entropy alloy particle reinforced 6061 aluminum matrix composites: An investigation of mechanical strength and thermoelectric properties

The relentless pursuit of advanced materials characterized by superior mechanical and thermoelectric properties has spurred significant research into metal matrix composites (MMCs), particularly aluminum matrix composites (AMCs). This study investigates the development of 6061 aluminum alloy composites reinforced with varying concentrations (4–10 wt%) of AlCoCrFeNi high-entropy alloy (HEA) particles via Spark Plasma Sintering (SPS). Key findings underscore the positive impact of HEA reinforcement on the density and hardness of AMCs, while revealing a complex relationship between HEA content and strength. The composite incorporating 6 wt% HEA exhibited optimal properties, characterized by a density of 2.85 g/cm³, Vickers hardness of 85 HV, ultimate tensile strength of 174 MPa, and elongation of 13.7 %. A corresponding peak in thermal conductivity was observed at this composition, while electrical conductivity diminished due to increased phonon scattering.

Regulating the electronic modulation configuration of MnxFeCoNiCu high entropy alloy for reliable sulfur redox kinetics

Current research on sulfur redox catalysis primarily focuses on the adsorption and catalytic conversion of lithium polysulfides (LiPSs). However, it often neglecting the modulation of the catalysts' electronic structure, which includes charge transfer and orbital interactions that significantly affect adsorption and catalytic properties. In this work, multi-channel carbon nanotubes modified with high entropy alloy nanoparticles (MnxFeCoNiCu/MCCFs) are elaborately synthesized as hosts to reveal the relationship between the catalytic activity and surface electronic configuration for reliable sulfur electrochemistry. Combining density functional theory (DFT) calculations with detailed experimental investigations, we demonstrate that modulating the electron consumption center of this intrinsic electron transfer-replenishment mechanism, the surface charge distribution is reestablished, thereby improving the performance of multi-electron reactions. Achieving a balance between adsorption and desorption significantly enhance the catalytic efficiency for LiPSs conversion. Consequently, the as-prepared Mn1.00/MCCFs with an optimized electronic structure as sulfur host can deliver a high capacity of 938 mAh g−1, corresponding to an ultralow capacity decay of 0.013 % per cycle over 500 cycles at 1.0 C.

Strengthening by {110} and {112} edge dislocations in BCC high entropy alloys

Abstract Mechanical tests and microscopy studies on body-centered cubic (BCC) high entropy alloys reveal transitions from screw to edge dislocation slip and from {110} to {112} slip plane activity. Here, a strengthening theory for BCC edge dislocation slip on {112} planes is thus developed that parallels a recent theory for {110} slip. Using the atomistic dislocation pressure fields for four BCC elements (Nb, Ta, Mo, W) as proxies to span the range of likely alloy cores, theory predicts that the zero temperature yield strength for {112} slip is slightly lower (0%–20%) than that for {110} slip but that the associated energy barrier is slightly (0%–20%) higher. This leads to cancelling effects, and hence very similar strengths, at finite temperatures and strain rates. Full atomistic results on selected dilute binary alloys show some shifts in these trends, but with similar magnitudes and cancelling effects. The close strengths of {110} and {112} slip modes indicate that subtle aspects beyond the scope of the theory will determine which slip system controls the observed strengthening. This closeness in strength cements the use of the {110} edge theory for guiding alloy design independent of actual slip system.

Achieving considerable wear resistance in new Ti-based high-entropy alloys through microstructural hardening by adding Nb

In this study, (CoCrNiMn)78Ti22−xNbx eutectic high-entropy alloys were successfully synthesised via an arc melting process under vacuum, and the phase structure, microstructure, mechanical properties and dry sliding tribological behaviour of the alloys were systematically investigated. The XRD results for the (CoCrNiMn)78Ti22−xNbx eutectic high-entropy alloys are almost in agreement with the JMatPro phase diagram simulations, and the volume fraction of the Laves phase increased with increasing Nb content. OM and SEM images revealed that the microstructure was composed of dendrites (BCC A2) and interdendrites (BCC B2 +Laves) and changed from a hypoeutectic to a eutectic to a BCC B2 +Laves dual-phase structure, with the average grain size decreasing from 6.715 µm to 6.391 µm. Ti promoted the growth of the layered Laves phase and provided the alloy with base hardness and wear resistance. The hardness of the alloy combination of 21 % Ti and 1 % Nb reached the maximum value of 707.04 HV, whereas the average coefficient of friction (COF) and wear rate reached the lowest values of 0.49 and 1.668 × 10−4 mm3/N·m, respectively. With increasing load, the wear mechanism was mixed fatigue, delamination wear, and abrasive wear accompanied by oxidation, and the possibility of three-body wear paths between compacted tribolayers cannot be excluded. The debris was mostly in the form of microclusters, and the particle size range was concentrated between 1 −2 µm; meanwhile, the shape of the debris tended to develop from lamellar to spherical with increasing hardness.