High Entropy Research Articles

Microstructural study on in-situ high-entropy (NbMoTaWV)C reinforced nanocrystalline NbMoTaWVC refractory high entropy alloys prepared by mechanically alloying

Refractory high-entropy alloys (RHEAs) can be commonly regarded as the best candidates for potentially substituting for the nickel-based superalloys practically used in the areas of aviation and nuclear industry, which can significantly endure in high-temperature and harsh environment. In this work, a nanocrystalline NbMoTaWVC RHEA is successfully produced by mechanical alloying method and X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and spherical aberration corrected transmission electron microscopy (AC-TEM) are employed to systematically characterized the microstructural details of NbMoTaWV and NbMoTaWVC RHEAs mechanically alloyed powders. Our results can support the evidence that the observable minimum nanoparticle sizes of the NbMoTaWV and NbMoTaWVC RHEAs considerably decrease to approximately ∼100 nm. Furthermore, the average grain sizes are gradually refined and thus notably drop to around of 30–50 nm, and five elemental powders can be found to be homogeneously alloyed. The evidence can be confirmed that the order of solid solution may be proposed as follows: Nb → Mo → V → Ta → W. The chemical short-range order occurred at the local nanoscale of NbMoTaWV and NbMoTaWVC RHEAs. Meanwhile, further microstrutural analysis can demonstrate that NbMoTaWV and NbMoTaWVC RHEAs powders with ultrafined grain have a bcc phase structure and bcc + bct matrix phases combined with high-entropy tungsten carbides (NbMoTaWV)C and (NbMoTaWV)2C of nano-precipitated phases, respectively, suggesting that the martensitic transformation probably occurred. The NbMoTaWV and NbMoTaWVC RHEAs powders of locally crystal lattice distortion rates reached approximately 8.07% and 6.33%.

Achieving a Deeply Desodiated Stabilized Cathode Material by the High Entropy Strategy for Sodium-ion Batteries.

Manganese-based layered oxides are currently of significant interest as cathode materials for sodium-ion batteries due to their low toxicity and high specific capacity. However, the practical applications are impeded by sluggish intrinsic Na+ migration and poor structure stability as a result of Jahn-Teller distortion and complicated phase transition. In this study, a high-entropy strategy is proposed to enhance the high-voltage capacity and cycling stability. The designed P2-Na0.67Mn0.6Cu0.08Ni0.09Fe0.18Ti0.05O2 achieves a deeply desodiation and delivers charging capacity of 158.1 mA h g-1 corresponding to 0.61 Na with a high initial Coulombic efficiency of 98.2%. The charge compensation is attributed to the cationic and anionic redox reactions conjunctively. Moreover, the crystal structure is effectively stabilized, leading to a slight variation of lattice parameters. This research carries implications for the expedited development of low-cost, high-energy-density cathode materials for sodium-ion batteries.

Achieving a Deeply Desodiated Stabilized Cathode Material by the High Entropy Strategy for Sodium‐ion Batteries

Manganese‐based layered oxides are currently of significant interest as cathode materials for sodium‐ion batteries due to their low toxicity and high specific capacity. However, the practical applications are impeded by sluggish intrinsic Na+ migration and poor structure stability as a result of Jahn‐Teller distortion and complicated phase transition. In this study, a high‐entropy strategy is proposed to enhance the high‐voltage capacity and cycling stability. The designed P2‐Na0.67Mn0.6Cu0.08Ni0.09Fe0.18Ti0.05O2 achieves a deeply desodiation and delivers charging capacity of 158.1 mA h g‐1 corresponding to 0.61 Na with a high initial Coulombic efficiency of 98.2%. The charge compensation is attributed to the cationic and anionic redox reactions conjunctively. Moreover, the crystal structure is effectively stabilized, leading to a slight variation of lattice parameters. This research carries implications for the expedited development of low‐cost, high‐energy‐density cathode materials for sodium‐ion batteries.

Microstructure Modification and Ductility Improvement for TaMoNbZrTiAl Refractory High Entropy Alloys via Increasing Ti Content

Microstructure Modification and Ductility Improvement for TaMoNbZrTiAl Refractory High Entropy Alloys via Increasing Ti Content

Microstructure Evolution and Compressive Property Variation of CoCrFeNiAlx High Entropy Alloys Produced by Directional Solidification

Microstructure Evolution and Compressive Property Variation of CoCrFeNiAlx High Entropy Alloys Produced by Directional Solidification

Uncovering the origin of unique elemental distribution behaviors of Vanadium in high entropy alloys

Owing to the unique elemental character, Vanadium (V) has recently gained growing interest in the field of high entropy alloys. It is known that V benefits in the mechanical strength in alloys, accompanying by the unique elemental distribution behaviors. In this work, we concentrate on the mechanism of V's distribution characters in VFeCoNi, which is similar to that of Cr in CrFeCoNi, by evaluating element inherent electronegativity, charge transfer, atomic volume, Voronoi volume and the atomic stress resulting from the combined effects of these factors. Another unique character of electronic interaction in the t2g and eg orbitals has been observed, which contributed to the fluctuation of atomic volume, thus enhancing solid solution strengthening. The tensile stress-strain tests show that the chemical ordering of V enhanced mechanical strength, especially for the grain boundary. Our work will provide new insights into the nanoscale distribution of V elements and the related macroscopic mechanical effects.

Motor Imagery Classification Using Effective Channel Selection of Multichannel EEG

Electroencephalography (EEG) is effectively employed to describe cognitive patterns corresponding to different tasks of motor functions for brain–computer interface (BCI) implementation. Explicit information processing is necessary to reduce the computational complexity of practical BCI systems. This paper presents an entropy-based approach to select effective EEG channels for motor imagery (MI) classification in brain–computer interface (BCI) systems. The method identifies channels with higher entropy scores, which is an indication of greater information content. It discards redundant or noisy channels leading to reduced computational complexity and improved classification accuracy. High entropy means a more disordered pattern, whereas low entropy means a less disordered pattern with less information. The entropy of each channel for individual trials is calculated. The weight of each channel is represented by the mean entropy of the channel over all the trials. A set of channels with higher mean entropy are selected as effective channels for MI classification. A limited number of sub-band signals are created by decomposing the selected channels. To extract the spatial features, the common spatial pattern (CSP) is applied to each sub-band space of EEG signals. The CSP-based features are used to classify the right-hand and right-foot MI tasks using a support vector machine (SVM). The effectiveness of the proposed approach is validated using two publicly available EEG datasets, known as BCI competition III–IV(A) and BCI competition IV–I. The experimental results demonstrate that the proposed approach surpasses cutting-edge techniques.

A Density Functional Theory Analysis of Electrochemical Oxidation of Methane to Alcohol over High-Entropy Oxide (CoCrFeMnNi)3O4 Catalysts.

The direct conversion of methane into alcohol is a promising approach for achieving a low-carbon future, yet it remains a major challenge. In this study, we utilize density functional theory to explore the potential of the (CoCrFeMnNi)3O4 (CCFMNO) high entropy oxide (HEO) for electrochemical oxidation of methane to methanol and ethanol, alongside their competition with CO2 production. Our primary focus in this study is on thermodynamics, enabling a prompt analysis of the catalyst's potential, with the calculation of electrochemical barriers falling beyond our scope. Among all potential active sites within CCFMNO HEO, we identify Co as the most active site for methane activation when using carbonate ions as oxidants. This results in methanol production with a limiting potential of 1.4 VCHE, and ethanol and CO2 productions with a limiting potential of 1.2 VCHE. Additionally, our findings suggest that the occupied p-band center of O* on CCFMNO HEO is a potential descriptor for identifying the most active site within CCFMNO HEO. Overall, our results indicate that CCFMNO HEO holds promise as catalysts for methane oxidation to alcohols, employing carbonate ions as oxidants.

Investigation of microfriction properties of graphene/AlCoCrFeNi high entropy alloy

Applying graphene (Gr) coatings to high-entropy alloys (HEA) is anticipated to enhance their tribological characteristics. The current understanding of the mechanism by which the Gr/HEA is enhanced at the atomic level is still limited. Molecular dynamics simulations revealed the mechanical behavior and strengthening mechanism of the Gr/AlCoCrFeNi HEA during nanoindentation and nanoscratch. The results demonstrate a substantial increase in the indentation hardness of the Gr/AlCoCrFeNi HEA by about 2.4 times. When Gr changed from a single layer to three layers, it further improved (3.2 times for a double layer and 3.9 times for three layers). At the same time, the friction coefficient is effectively reduced. Furthermore, the elevated in-plane stiffness of the Gr coating leads to an expansion of the effective loading area, resulting in increased Shockley dislocation and stair-rod dislocation density within the Gr/AlCoCrFeNi HEA, thereby amplifying the strain hardening effect and reducing subsurface damage. Qualitative experiments confirmed the excellent wear resistance of the Gr/HEA, and coating Gr increased the width of scratches, effectively confirming our simulation results. These findings provide valuable insights for the development and design of Gr/HEA composite coatings with enhanced mechanical properties.

Direct Mechanocatalysis with Pd Alloys

In this study, we assess the suitability of Pd alloys in direct mechanocatalytic coupling reactions. Copper (Cu) and nickel (Ni) were alloyed with palladium (Pd), alongside testing a high entropy alloy and palladium gold alloy. Compared to pure Pd balls the alloys are promising in terms of mechanical properties and costs. Combining Pd with Cu and Ni improved mechanical resilience by up to 330% while retaining catalytic activity, for the tested Suzuki‐Miyaura and Sonogashira‐Hagihara couplings. Both of which led to good to excellent yields within one hour. Notably, alloys containing 20% Pd showed increased yields of over 80% in the Sonogashira coupling, comparable to pure Pd. XPS and in‐situ PXRD analysis showcased the influence of alloyed metals on catalytic processes, emphasizing the significance of the surface composition of milling balls.

Structure, magnetic properties and cryogenic magnetocaloric performances of perovskite-type Gd(4TM0.25)O3 and Gd(5TM0.2)O3 high-entropy oxides

We herein fabricated two gadolinium-transition metal-based high entropy (HE) oxides of Gd(Mn0.25Fe0.25Al0.25Cr0.25)O3 [denoted as Gd(4TM0.25)O3] and Gd(Mn0.2Fe0.2Al0.2Co0.2Ni0.2)O3 [denoted as Gd(5TM0.2)O3] and determined their structural, magnetic, and magnetocaloric properties. Both of present HE oxides are found to crystallize in the single-phase perovskite-type orthorhombic structure with a homogeneous microstructure and exhibit prominent cryogenic magnetocaloric performances. The values of magnetic entropy change, refrigerant capacity, and temperature-averaged entropy change (6K-lift) under the magnetic field change of 0–7 T are estimated to be 20.34 J/kgK, 295.4 J/kg, and 19.56 J/kgK for Gd(4TM0.25)O3, and to be 22.45 J/kgK, 258.2 J/kg, and 20.79 J/kgK for Gd(5TM0.2)O3, respectively, which are comparable with recently reported candidate materials for practical magnetic cooling. These findings not only indicate potential applications of present perovskite-type Gd(4TM0.25)O3 and Gd(5TM0.2)O3 HE oxides, but also provide meaningful clues for exploring HE oxides with prominent cryogenic magnetocaloric performances.

Microstructure, mechanical, and thermal properties of (MoTaTiVW)CX high entropy ceramics with different carbon stoichiometries

In present work, high entropy (MoTaTiVW)CX ceramics with different carbon stoichiometries (X = 3–6) were produced using spark plasma sintering. The microstructure, mechanical properties, and thermal properties of (MoTaTiVW)CX with different carbon stoichiometries were studied. At X = 3, the carbon deficiency resulted in a multiphase structure of the sample, (MoTaTiVW)C3 with a Mo-rich carbide phase. At X = 3.5, the single-phase rock salt structure was formed despite carbon vacancies of up to 30 %. The relative density of (MoTaTiVW)CX gradually decreases as the carbon stoichiometry increases from X = 3 to X = 6. The concentration of carbon vacancies affects the sintering activation energy, which can enhance mass transfer and promote the densification process. The Vickers hardness of (MoTaTiVW)CX shows an overall decreasing trend as the carbon stoichiometry increases from X = 3.5 to X = 6, peaking at 20.4 ± 0.4 GPa at X = 3.5. The fracture toughness increases and then decreases, peaking at 4.4 ± 0.2 MPa m1/2 at X = 4. The thermal conductivity of (MoTaTiVW)CX gradually increases, then decreases and finally increases with the increase of carbon stoichiometry. At room temperature, the maximum value of thermal conductivity is 6.35 ± 0.29 W/m·K of (MoTaTiVW)C5 and the minimum value is 5.32 ± 0.35 W/m·K of (MoTaTiVW)C5.5. At 1000 °C, the thermal conductivity of (MoTaTiVW)CX ranges from 15.94 ± 0.37 W/m·K to 19.56 ± 0.45 W/m·K. As the concentration of carbon vacancies decreases, the decrease in point defect concentration will reduce the degree of lattice distortion, thereby reducing phonon scattering and affecting thermal conductivity. The study suggests that carbon stoichiometry can be used to adjust the microstructure, mechanical properties, and thermal properties of high entropy carbide ceramics.

Radiation shielding properties of composites of TiZrNbHfTa refractory high entropy alloy reinforced with TiZrNbHfTaOx high-entropy oxide

Radiation shielding materials play a critical role in advancing the next generation of nuclear reactors. Among these, high-entropy materials with refractory properties emerge as a new category for radiation shielding applications. This study introduces TiZrNbHfTa-TiZrNbHfTaOx composites tailored for such purposes. Initially, a TiZrNbHfTa refractory high-entropy alloy (RHEA) is synthesized via mechanical alloying, followed by the oxidation of the alloy to obtain its refractory high-entropy oxide (RHEO), TiZrNbHfTaOx. Composites are then prepared by blending 5%, 10%, and 20% weight fractions of RHEO with RHEA using mechanical alloying. Comparative analysis of shielding properties reveals a decrease in mass attenuation coefficient and effective atomic number with increasing RHEO content. While RHEA exhibits superior shielding performance against gamma photons and neutrons, the composite containing 20% RHEO emerges as the optimal shield against alpha and proton irradiations. The equivalent neutron dose rate and removal cross-section values are obtained 49.8% and 0.142 for the composite with 20% RHEO, respectively. These findings, supported by computational simulations in this study, contribute valuable insights for the advancement of novel shielding materials crucial for future nuclear reactor technologies.

Embracing entropy in glass-ceramics

Glass-ceramics have extensive industrial applications owing to their superior mechanical, optical and physicochemical properties compared to either glasses or ceramics. Herein, we leverage the concept of high entropy materials to broaden the available chemical compositions for tailoring the properties of glass-ceramics. Among various compositions explored, the high entropy glass 45SiO2-20Al2O3-15MgO-11Li2O-1.5TiO2-1.5ZrO2-2P2O5-2BaO-SnO2-CaO was identified as particularly promising, being easily cast with no pores and cracks. Furthermore, we successfully controlled the crystallization process to produce high entropy glass-ceramics (HEGCs) that range from highly transparent to highly opaque. The concurrent crystallization of γ-spodumene and cordierite led to exceptional mechanical properties such as high Vickers microhardness (10.37 GPa), compressive strength (541 MPa), and flexural strength (305 MPa). These findings not only showcase a novel approach to customizing the chemical composition of glass-ceramics, but also suggest the potential emergence of a new class of glass-ceramics. These materials hold great promise for dental, optoelectronics and energy-related applications.

Molecular characterization of emerging Echovirus 11 (E11) shed light on the recombinant origin of a variant associated with severe hepatitis in neonates.

Echovirus 11 (E11) has gained attention owing to its association with severe neonatal infections. Due to the limited data available, the World Health Organization (WHO) considers public health risk to the general population to be low. The present study investigated the genetic variation and molecular evolution of E11 genomes collected from May to December 2023. Whole genome sequencing (WGS) was performed for 16 E11 strains. Phylogenetic analysis on WG showed how all Italian strains belonged to genogroup D5, similarly to other E11 strains recently reported in France and Germany all together aggregated into separate clusters. A cluster-specific recombination pattern was also identified using phylogenetic analysis of different genome regions. Echovirus 6 was identified as the major recombinant virus in 3Cpro and 3Dpol regions. The molecular clock analysis revealed that the recombination event probably occurred in June 2018 (95% HPD interval: Jan 2016-Jan 2020). Shannon entropy analyses, within P1 region, showed how 11 amino acids exhibited relatively high entropy. Five of them were exposed on the canyon region which is responsible for receptor binding with the neonatal Fc receptor. The present study showed the recombinant origin of a new lineage of E11 associated with severe neonatal infections.

An Innovative High-Entropy Alloy Solder for High-reliability Low-Temperature Bonding in 3D Electronic Packaging——Based on nano InSnBiZnAg particles

To address the demand for multilevel package, a low-melting-point high entropy alloy (HEA) solder was developed. It consists of 43In28Sn14Bi9Zn6Ag micro- and nanoparticles with a melting point of about 62.80 °C. We obtained 43In28Sn14Bi9Zn6Ag nanoparticles by combining ultrasonic heating interaction with a "hot shock" process. Upon reflowing at 115 °C for 5 min, a Cu/Zn/Ag ternary intermetallic compound (IMC) formed at the interface between the solder and the copper substrate, leading to a shear strength of 40 MPa. The microstructure of this joint exhibits a complex composition with at least three phases, including Bi3In5 phase, Ag5Zn8 phase, and In0.2Sn0.8 solid solution. The stable Ag5Zn8 phase not only enhances the overall strength of the alloy matrix but also impedes the diffusion of In and Bi atoms, thereby preventing the segregation of the Bi3In5 phase. The high mixing entropy and pronounced lattice distortion in this high entropy alloy hinder the diffusion of elements within the solder matrix, mitigating the issue of excessive interfacial IMC growth. Consequently, the solder joints exhibit little degradation even after a high-temperature aging test. This high-entropy alloy solder has promising potential for multi-level chip stacking in 3D packaging.

Effects of Fe2+ on dielectric and magnetic properties in rare earth garnet type high entropy oxides

Given the important role played by the valence state of the transition metal in determining material this paper investigates the effect of Fe2+ content on the structure and dielectric properties of garnet-structured high entropy oxides (Y0.2Eu0.2Er0.2Dy0.2Lu0.2)3(Al0.5Fe0.5)5O12 through Fe2+ doping. The results of XPS and Mӧssbauer spectra showed that the Fe2+ content in the tetrahedron increased with Fe2+ doping. With increasing Fe2+ content, the dielectric constants gradually increased, and the maximum dielectric constant reached 2.78×104 at 100 Hz under 30ºC. The analysis of the AC impedance spectrum and electrical conductivity revealed that the difference between the activation energy of grain boundary and grain conductivity resulted in increased dielectric constants of the samples. In addition, the doping of Fe2+ increased the maximum magnetization of the samples. This work provides a new idea for designing giant dielectric materials and magnetic materials with a high entropy strategy.

Synthesis of a novel textured high entropy M4AlC3 (M = Ti, V, Mo, Nb, Ta) composites with improved mechanical properties via spark plasma sintering

A novel high-entropy M4AlC3 phase ceramic (M=Ti, V, Mo, Nb, Ta) was synthesized by three-step solid phase sintering, and the textured high-entropy M4AlC3 composites were prepared for the first time by SPS uniaxial pressing of nano flakes generated via reactive ball milling. The microstructure were characterized in detail and Maud software was used for Rietveld refinement analysis of phase composition content. The results showed that Ti, V, Mo, Nb, Ta were successfully dissolved in M4AlC3. On this basis, the density, hardness and mechanical properties before and after texture were tested. The results showed that the textured composite achieved 12.1GPa Vickers hardness (//C-axis), 2.2GPa compressive strength (//C-axis), 8.8 fracture toughness of MPa m1/2 (//C-axis) and 726MPa bending strength (//C-axis). Dispersively distributed nano-Al2O3 and texturization played a key role in strengthening and toughening. This work can provide an important reference for the subsequent preparation and texturing of high-entropy MAX ceramics.

Study of high-entropy oxide diffusion barrier and diffusion resistance mechanism in high-temperature protective coatings

In order to obtain high temperature protective coatings with low diffusivity, high entropy (HEA) as well as high entropy oxide (HEO) diffusion barriers were deposited between the NiCrAlY coating and the substrate by magnetron sputtering. These two coatings were subjected to constant temperature oxidation tests at 1050 °C. These results show that the two coatings containing diffusion barriers have better high-temperature oxidation properties compared to the NiCrAlY coating. Both HEA and HEO diffusion barriers have the desired performance in hindering the diffusion of elements between the coating and the substrate. The evolution of these two diffusion barriers and the mechanism of diffusion resistance during the oxidation process have been investigated.

Structural insights, synthesis, and electrocatalysis of high entropy nanoparticles for fuel cell, metal-air battery, and water-splitting applications

High-entropy alloy nanoparticles (HEA-NPs) have recently sparked great interest in materials science. Their solid-solution states, derived from distinct HEA configurations, make them promising candidates for catalysts with exceptional activity, stability, and tunable performance. However, a comprehensive understanding of the underlying mechanisms governing their electrocatalytic behavior is still lacking, hindering the rational design of HEA electrocatalysts. This review summarizes the fundamental knowledge of HEA-NPs, including the structure-activity correlations of HEA-NPs, diverse synthesis strategies, and applications in electrochemical catalysis. The design strategies for guiding improvements in tunable performance were highlighted. The article concludes with insights, perspectives, and future directions, encapsulating the state-of-the-art knowledge and paving the way for further exploration in this dynamic field.