High Entropy Research Articles

Influence of twinning thickness on the mechanical properties of crystalline-amorphous dual-phase CoCrFeNiMn high entropy alloy

This study employs molecular dynamics simulation to investigate the influence of twin thickness on the mechanical properties and plastic deformation mechanisms for crystalline/amorphous dual-phase CoCrFeNiMn high-entropy alloy with varying amorphous layer thicknesses. The results revealed that for a minor amorphous layer thickness (d) of 1 nm, increasing the twin thickness (h) decreased average flow stress and peak stress within the models. It can be attributed to the fact that at smaller h, twin boundaries effectively hinder dislocation motion. However, as h increases, dislocation storage near twin boundaries and subsequent large-scale FCC→HCP phase transformation become more robust, reducing stress. On the other hand, when d thickness increases to 7 nm, stable average flow stress is observed due to thicker shear band formation during plastic deformation. Regardless of whether d was 1 nm or 7 nm, an increase in twin thickness augmented the likelihood of FCC→HCP phase transformation.

Analysis of Flow Loss Characteristics of a Multistage Pump Based on Entropy Production

To reveal the internal flow loss characteristics of a multi-stage pump, the unsteady calculation of the internal flow field of a seven-stage centrifugal pump was carried out, and the entropy production theory and Q criterion were utilized to analyze the unsteady flow characteristics of each flow component under different flow rates. The research results show that as the flow rate increases, the entropy production value and the energy loss inside the flow components also increase accordingly. The viscous dissipation entropy production caused by fluid viscosity is very small, and the turbulent dissipation entropy production caused by turbulent fluctuations and wall dissipation entropy production are the main sources of energy loss. The impellers, diffusers, and outlet chamber are the main regions of energy loss in the multistage pump. The entropy production value of the first-stage impeller is significantly higher than that of other impellers, while the entropy production value of the first-stage diffuser is significantly lower than that of other diffusers. Through vortex structure analysis, it is found that the high entropy production regions in the impeller are concentrated in the impeller inlet area, the blade suction surface, and the impeller outlet area.

High‐Entropy Perovskite Oxides Integrating Sunlight‐Driven Photochromic and Upconversion Manipulation for Power‐Independent Intrusion Detection Monitoring

AbstractThe security monitoring of valuables is a crucial concern to ensure the stable development of human social business activities, scientific research, production, and daily life. The implementation of security precautions has traditionally involved the mere placement of items in safes. However, the formidable task of ascertaining whether valuables have been compromised during storage remains a significant challenge. Photochromic materials are important intelligent substances that can be employed as a potential candidates for security monitoring. However, previous studies have predominantly focused on achieving prominent photochromism by utilizing specific light sources such as ultraviolet, laser, and X‐ray radiation. In light of these existing challenges, a design strategy engaging high entropy is proposed to improve the photochromic performance. By selecting a diverse range of volatile metal elements, the A‐site high entropy is realized within the ABO3 perovskite structure, enabling the construction of various defects. This results in the successful realization of the material's sensitive response to sunlight, thereby validating the feasibility of the photochromism boosted by a high entropy strategy. The developed photochromic materials for intrusion indication demonstrate the capability to operate autonomously, making it a crucial component in high‐level security monitoring systems and presenting a novel approach toward enhancing security protection in traditional domains.

Refractory high entropy TiTaZrHfW-N/Si3N4 nano-layered alloy thin film’s oxidation resistance

Refractory high entropy TiTaZrHfW-N/Si3-N4 nano-layered alloy thin films are investigated to study the effect of nano-layered architecture and silicon (Si) mean content on their structural, mechanical, thermal properties and oxidation behavior. The films are deposited using direct current (DC) magnetron sputtering of separate Si and TiTaZrHfW targets. The Si mean content is controlled by tailoring the power discharge applied to the Si target. The deposition process led to a nano-layered architecture where Si3N4 (amorphous) and TiTaZrHfW-N (nano-crystalized NaCl FCC type structure) are alternated. By increasing the thickness of Si3N4 nano-layers, the Si mean content increases. All coatings are found to have good thermal stability after annealing under vacuum at 900 °C. Increasing Si mean content reduces the film’s hardness; however, the annealing treatment at 900 °C improves it. A super-hardness of 41 GPa is found for the post-annealed Si-free film. Si3N4 nano-layers enhance the oxidation resistance at elevated temperatures of 600, 700, and 800 °C. This oxidation resistance is further enhanced by increasing the nano-layer’s period and also by increasing the density of the films.

Mechanical properties and first-principle calculation investigation of ZrHfNbTa series refractory high entropy alloys prepared by a combined process

ABSTRACT Refractory high-entropy alloys (RHEAs) are widely used in aerospace engine, gas turbine high-temperature components, capacitors and catalysis. The study presents a combined process for preparing ZrHfNbTa series RHEAs. HEAs powders were prepared from metal oxide by molten salt electro-deoxidation process, and the bulk HEAs were prepared by vacuum hot-pressing sintering process. The study aimed to explore the alloying mechanism of mixed metal oxide in molten salt electro-deoxidation process to optimise the properties. The hardness and wear resistance of the bulk alloy were tested. The test results show that the hardness of ZrHfNbTa and VZrHfNbTa bulk RHEAs prepared by this process is 1251 and 1603 HV. According to the friction surface characterisation of bulk alloy, VZrHfNbTa HEA has better wear resistance than ZrHfNbTa. Based on the first-principle calculation results, the doping of V element produces a strong hybridisation of electron orbitals in RHEAs, which can effectively improve the mechanical properties of RHEAs.

Cortical, striatal, and thalamic populations self-organize into a functionally connected circuit with long-term memory properties

The human brain is a complex organ with an intricate neuronal connectivity and diverse functional regions. Neurological disorders often disrupt the delicate balance among these anatomical compartments, resulting in severe impairments. The available therapeutic options constitute an incomplete solution as many patients respond partially, highlighting the need for continued research into causes and treatments. Bottom-up approaches, like in vitro models, offer insights into brain functions as they recreate the in vivo microenvironment that allows studying how specific features affect physiological and pathological conditions. In this work, we engineered the cortical-striatal-thalamic (CST) circuit, involved in many brain functions such as action initiation and selection, using a three-compartment polymeric device. We characterized the emerging spontaneous electrophysiological activity by using Micro-Electrode Arrays (MEAs). Cortical neurons exhibited complex bursting activity, which influenced the entire circuit. Striatal and thalamic neurons displayed predominantly tonic firing when isolated, while interconnections with the cortex synchronized and organized their neuronal activity, highlighting the cortical pivotal role in bursting activity and information processing. The CST circuit demonstrated self-organization abilities and displayed high entropy values, indicative of dynamic richness and information encoding potential. Furthermore, we proved the CST’s involvement in learning and memory. Our CST model provides a platform for further exploration into brain circuitry and potential therapeutic interventions, underscoring the necessity of realistic in vitro models to fully understand neurological diseases' pathophysiology.

Mechanical properties and corrosion behavior of SiC reinforced high entropy alloy (Ni-Co-Fe-Ti) matrix composites produced by microwave and conventional sintering techniques

Abstract The aim of this work is to synthesize SiC reinforced Ni-Co-Fe-Ti composite using powder metallurgy (PM) method. Two sintering methods, conventional sintering (CS) using a tubular furnace and microwave sintering (MWS), are employed to synthesize three different weight percentages of SiC (3 wt.%, 6 wt.%, and 9 wt.%) within a Ni-Co-Fe-Ti matrix. The densification behavior of synthesized Ni-Co-Fe-Ti-SiC composites are studied using sinterability function. The highest sinterability of 0.89 was achieved for Ni-Co-Fe-Ti-0 wt.wt.% SiC alloy. The densification rate was found to be higher in MW sintered composites compared to those sintered conventionally. 3.5 wt.% NaCl solution was considered for corrosion examination and it was determined that Ni-Co-Fe-Ti- 9 wt.% SiC MW sintered composite exhibit highest corrosion resistance. Ni-Co-Fe-Ti-9 wt.%SiC MW sintered composite exhibits higher compressive strength of 1050 MPa than conventional sintered Ni-Co-Fe-Ti-9 wt.%SiC (625MPa). Ni-Co-Fe-Ti-6wt.% SiC MW sintered composite possess highest hardness of 58 HRC among other prepared composites. Interestingly, decreasing trend in hardness was observed for further inclusion of SiC with Ni-Co-Ti-Fe matrix. Scanning electron microscopy (SEM) and microstructural characterization technique shows the formation of pores in the conventional sintered composites. But, there is no formation of pores in the MW sintered composite of all the composition. Tribological studies were conducted using pin on disc method. Worn surface morphology was analyzed and it shows that severe pullout was observed in the worn surface of conventional sintered Ni-Co-Fe-Ti- 6wt.%SiC.The best optimum set of parameters (Sliding Speed 1146 rpm, SiC inclusion 6 wt.%, Applied Load 20 N) were found out using Taguchi method.

Active Learning Guided Discovery of High Entropy Oxides Featuring High H2-production.

High entropy oxides (HEOs) represent a class of solid solutions comprising multiple elements, offering significant scientific potential. Due to the enormous combination types of elements, the design of HEOs with desirable properties within high-dimensional composition spaces has traditionally relied heavily on knowledge and intuition. In this study, we present an active learning (AL) strategy tailored to efficiently explore the vast compositional space of HEOs. Our approach operates as a closed-loop system, iteratively cycling through "Training, Prediction, and Experiment" stages. Across multiple AL iterations, we have successfully identified four novel HEOs from a vast array of potential compositions. These newly discovered materials exhibit exceptional stability and demonstrate outstanding performance in H2 evolution rate (251 μmol gcat-1 min-1) during the water-gas shift reaction, surpassing benchmarks set by established catalysts such as Pt/γ-Al2O3 (135 μmol gcat-1 min-1) and Cu/ZnO/Al2O3 (81 μmol gcat-1 min-1). X-ray photoelectron spectroscopy and density functional theory calculations revealed a loss of elemental identity in the selected HEOs. This catalyst discovery process underscores the efficacy of Machine Learning in accelerating the identification of HEOs with unique characteristics by effectively leveraging insights from limited experimental data.

Fluorine-Lodged High-Valent High-Entropy Layered Double Hydroxide for Efficient, Long-Lasting Zinc-Air Batteries.

Efficient and stable bifunctional oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) catalysts are urgently needed to unlock the full potential of zinc-air batteries (ZABs). High-valence oxides (HVOs) and high entropy oxides (HEOs) are suitable candidates for their optimal electronic structures and stability but suffer from demanding synthesis. Here, a low-cost fluorine-lodged high-valent high-entropy layered double hydroxide (HV-HE-LDH) (FeCoNi2F4(OH)4) is conveniently prepared through multi-ions co-precipitation, where F- are firmly embedded into the individual hydroxide layers. Spectroscopic detections and theoretical simulations reveal high valent metal cations are obtained in FeCoNi2F4(OH)4, which enlarge the energy band overlap between metal 3d and O 2p, enhancing the electronic conductivity and charge transfer, thus affording high intrinsic OER catalytic activity. More importantly, the strengthened metal-oxygen (M-O) bonds and stable octahedral geometry (M-O(F)6) in FeCoNi2F4(OH)4 prevent structural reorganization, rendering long-term catalytic stability. Furthermore, an efficient three-phase reaction interface with fast oxygen transportation was constructed, significantly improving the ORR activity. ZABs assembled with FeCoNi2F4(OH)4@HCC (hydrophobic carbon cloth) cathodes deliver a top performance with high round-trip energy efficiency (61.3 % at 10 mA cm-2) and long-term stability (efficiency remains at 58.8 % after 1050 charge-discharge cycles).

Fluorine‐Lodged High‐Valent High‐Entropy Layered Double Hydroxide for Efficient, Long‐Lasting Zinc‐Air Batteries

AbstractEfficient and stable bifunctional oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) catalysts are urgently needed to unlock the full potential of zinc‐air batteries (ZABs). High‐valence oxides (HVOs) and high entropy oxides (HEOs) are suitable candidates for their optimal electronic structures and stability but suffer from demanding synthesis. Here, a low‐cost fluorine‐lodged high‐valent high‐entropy layered double hydroxide (HV‐HE‐LDH) (FeCoNi2F4(OH)4) is conveniently prepared through multi‐ions co‐precipitation, where F− are firmly embedded into the individual hydroxide layers. Spectroscopic detections and theoretical simulations reveal high valent metal cations are obtained in FeCoNi2F4(OH)4, which enlarge the energy band overlap between metal 3d and O 2p, enhancing the electronic conductivity and charge transfer, thus affording high intrinsic OER catalytic activity. More importantly, the strengthened metal‐oxygen (M−O) bonds and stable octahedral geometry (M−O(F)6) in FeCoNi2F4(OH)4 prevent structural reorganization, rendering long‐term catalytic stability. Furthermore, an efficient three‐phase reaction interface with fast oxygen transportation was constructed, significantly improving the ORR activity. ZABs assembled with FeCoNi2F4(OH)4@HCC (hydrophobic carbon cloth) cathodes deliver a top performance with high round‐trip energy efficiency (61.3 % at 10 mA cm−2) and long‐term stability (efficiency remains at 58.8 % after 1050 charge–discharge cycles).

A solid composite electrolyte poly(PEGDA-co-AN)/LiTFSI/nano-SiO2 with high conductivity and high entropy structure and its Li+ transport behavior

A solid composite electrolyte poly(PEGDA-co-AN)/LiTFSI/nano-SiO2 with high conductivity and high entropy structure and its Li+ transport behavior

Multi-image encryption scheme using cross-plane coupling permutation and plain-by-plain wave diffusion

Images contain a wealth of visual information, are susceptible to unauthorized access due to their vulnerability and sensitivity. This paper designs a novel multi-image encryption scheme for protecting the privacy of images of different sizes and types. Initially, a 2D memristive hyperchaotic map (2D-MHM) is designed and subjected to various dynamic analyses and randomness evaluations. The results demonstrate that the proposed map possesses an exceptionally large parameter space, high Lyapunov exponent and sample entropy, and has successfully passed the entire suite of NIST test, verifying its feasibility for confidential communication. Then we present a multi-image encryption scheme combining cross-plane coupling permutation and plain-by-plain wave diffusion to realize random exchange and global variation of pixels in different planes. The performance evaluation and numerical analysis demonstrate that the scheme is resilient against multifarious types of attacks, possesses great security while effectively enhancing encryption efficiency. Finally, the proposed scheme is compared with advanced algorithms and its application in healthcare is discussed, exhibiting its superiority in multiple aspects.

High-Entropy Selenides with Tunable Lattice Distortion as Efficient Electrocatalysts for Oxygen Evolution Reaction.

Developing stable and active electrocatalysts is crucial for enhancing the oxygen evolution reaction (OER) efficiency, which sluggish kinetics hinders sustainable hydrogen production. High entropy selenides (HESes) features with random distribution of multiple metals cations and unique electronic and size effect of Se anion, allowing for precious regulation of their catalytic properties towards high OER activity. In this work, we report a series of high-entropy selenides catalysts with tunable lattice strain for electrocatalytic oxygen evolution. Electrochemical measurements show that the quinary (NiCoMnMoFe)Sex requires only 291 mV to reach 10 mA cm-2 and exhibits a superior stability with negligible current decay during 100 h's continuous operation. By combining experimental measurements and theoretical calculation, the study reveals that the lattice distortion, reflected by the local microstrain near the active site, plays a vital role in boosting the OER activity of HESes.

High Entropy Induced Local Charge Enhancement Promotes Frank–Van der Merwe Growth for Dendrite‐Free Potassium Metal Batteries

AbstractPotassium metal batteries (PMBs) are promising for next‐generation energy storage. However, the high reactivity of the anode causes instability in the solid electrolyte interface (SEI), resulting in Volmer‐Weber (V‐W) type deposition. To achieve uniform Frank‐van der Merwe (F‐M) type deposition, high entropy alloy nanoparticles are designed (HEA NPs) with equimolar ratios of Mn, Fe, Co, Cu, and Ni to enhance the substrate‐K metal interface. HEA NPs enhance the K affinity of the N‐doped nanocarbon fiber substrate (N‐PCNF) and maximize ion and electron transport efficiency. The dendrite‐free horizontal growth of K metal confirmed through Operando X‐ray diffraction (XRD) and optical microscopy (OM). Consequently, the asymmetric cell exhibits ultra‐long cycling stability of 2350 hours at a high current density of 8 mA cm−2. The full cell composed of molten K diffusion into HEA NPs decorated N‐PCNF anode with perylene‐3,4,9,10‐tetracarboxylic dianhydride cathode (HEA‐N‐PCNF‐K||PTCDA) delivers an energy density of 331 W h kg−1 and remains stable over 2000 cycles. This study offers a promising pathway for innovative PMBs designs with broad application prospects.

Synthesis and electrochemical performance of novel high-entropy spinel oxide (FeCoMgCrLi)3O4

High-entropy oxides (HEOs) are attractive options for anode materials in lithium-ion batteries (LIBs) because of their impressive specific capacity and structural stability. The multi-element composition of HEOs endows them with diverse physicochemical properties. However, the role of different elements in the energy storage mechanism remains unclear, and the limited number of successfully synthesized high-entropy oxide systems currently hinders further development. Therefore, developing HEOs with different compositions and studying their electrochemical properties is of great significance. Using the glycine-nitrate solution combustion synthesis (SCS) method, we produced two new High Entropy Oxides (HEOs), namely (FeCoMgCr)3O4 and (FeCoMgCrLi)3O4, and assessed their electrochemical performance as LIBs anode materials. The studies indicate that the inclusion of lithium significantly enhances the lithium storing capabilities of the material system. Specifically, after undergoing two hundred cycles at a current density of 200 mA/g, (FeCoMgCrLi)3O4 exhibited a specific capacity of 658 mAh/g, which was considerably greater than the specific capacity of (FeCoMgCr)3O4, which was 306.9 mAh/g. This work enriches the spinel-type high-entropy oxide systems and proposes a new design strategy for HEOs as LIBs anode materials.

Influence of Si Content on the Microstructure, Wear Resistance, and Corrosion Resistance of FeCoNiCrAl0.7Cu0.3Six High Entropy Alloy

This study explores microstructure, wear, and corrosion resistance properties of FeCoNiCrAl0.7Cu0.3Six (x = 0, 0.2, 0.3, 0.5) high-entropy alloys. The FeCoNiCrAl0.7Cu0.3Six alloy contains FCC and BCC structures; as the x increases, the FeCoNiCrAl0.7Cu0.3Si0.2, FeCoNiCrAl0.7Cu0.3Si0.4, and FeCoNiCrAl0.7Cu0.3Si0.5 high-entropy alloys transition to BCC structures. The morphological transition in FeCoNiCrAl0.7Cu0.3Six evolves from bamboo leaf-like intergranular features to a discontinuous intergranular structure as Si content increases. The hardness of these alloys gradually increases with higher Si content. The addition of Si promotes a uniform distribution of Cr within and between grains, reducing the intergranular segregation of Cu. Al and Ni show a consistent pattern of elemental distribution throughout the alloy. Wear measurements of FeCoNiCrAl0.7Cu0.3Six alloys demonstrate that adding Si enhances wear resistance, resulting in smoother wear surfaces with reduced deformation. The wear mechanism for all alloys is primarily abrasive, with no brittle fractures observed. Corrosion resistance is optimized when Si content is 0.2, with pitting corrosion being the primary corrosion form.

Entropy-Stabilized Multication Fluorides as a Conversion-Type Cathode for Li-Ion Batteries-Impact of Element Selection.

Metal fluorides (e.g., FeF2 and FeF3) have received attention as conversion-type cathode materials for Li-ion batteries due to their higher theoretical capacity compared to that of common intercalation materials. However, their practical use has been hindered by low round-trip efficiency, voltage hysteresis, and capacity fading. Cation substitution has been proposed to address these challenges, and recent advancements in battery performance involve the introduction of entropy stabilization in an attempt to facilitate reversible conversion reactions by increasing configurational entropy. Building on this concept, high entropy fluorides with five cations were synthesized by using a simple mechanochemical route. In order to examine the impact of element selection, Co0.2Cu0.2Ni0.2Zn0.2Fe0.2F2 (HEF-Fe) was compared with Co0.2Cu0.2Ni0.2Zn0.2Mg0.2F2 (HEF-Mg), replacing electrochemically inactive Mg with Fe as an active participant in the conversion reaction. Combining electrochemical measurements with first-principles calculations, high-resolution electron microscopy, and synchrotron X-ray analysis, HEFs' battery performances and conversion reaction mechanisms were investigated in detail. The results highlighted that replacement of Mg with Fe was beneficial, with enhanced capacity, rate capability, and surface stability. In addition, it was found that HEF-Fe showed similar cycle stability without an electrochemically inactive element. These findings provide valuable insights for the design of high entropy multielement fluorides for improved Li-ion battery performance.

Study on the effect of temperature on the microstructure and mechanical properties of as-cast CoCr2Ni3.5VAl1.5Ti high-entropy alloy

This study investigates the microstructure and mechanical properties of a CoCr2Ni3.5VAl1.5Ti high entropy alloy (HEA) annealed at 500 °C, 700 °C, 900 °C and 1100 °C for 6 h. The alloy was prepared using a vacuum induction melting furnace and annealed at the specified temperatures for 6 h. It was then characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and electron backscatter diffraction (EBSD). The results indicate that with increasing annealing temperature, the alloy's phase structure transitions gradually from multiphase (fcc, bcc, hcp) to predominantly fcc phase, with relatively stable elemental distributions. Annealing at 500 °C–900 °C mainly strengthens the alloy through precipitates and dislocation strengthening, whereas at 1100 °C, strengthening occurs through grain boundary strengthening and precipitate growth, enhancing the material's strength and ductility. The alloy exhibits optimal comprehensive performance after annealing at 1100 °C. This study provides important insights for optimizing the heat treatment process of HEAs.

Microstructural characteristics and mechanical response of transient liquid-phase diffusion bonding AlCoCrFeNi2.1 high entropy alloy utilizing BNi-5 interlayer

This study focuses on the microstructural characteristics and mechanical response of the transient liquid phase (TLP) diffusion-bonded joints of AlCoCrFeNi2.1 high entropy alloy. Bonging parameters were chosen and optimized for the AlCoCrFeNi2.1 alloy and the TLP joining mechanism. The relatively complete isothermal solidification zone (ISZ) ensured a reliable connection of the base metal. As the bonding temperature increased from 1060 °C to 1160 °C, the athermal solidification zone (ASZ) disappeared. The homogenization degree of elements in the ISZ continuously increased, the matrix γ phase became fully ordered, and the B2 phase was precipitated, achieving high entropy state in the ISZ of the joint. Additionally, semi-coherent relationships of [0, 1, 1] L12, [0, 1, 1] B2 and (1, 1̅,1) L12, (2̅, 3, 1̅) B2 were detected between the B2 precipitate phase and the L12 matrix. The phase distribution in the ISZ significantly influenced the mechanical properties of the joint. The complete ordering of the matrix phase at 1160 °C eliminated deformation incoordination between the ISZ and the diffusion-affected zone (DAZ). The B2 phase transitioned from precipitating at the grain boundary at lower temperatures to precipitating uniformly in the ISZ, eliminating the weakening effect of the grain boundary and resulting in tensile strength and elongation comparable to the base material. The fracture morphology indicated a mixed fracture mode.

Design principles for energy transfer in the photosystem II supercomplex from kinetic transition networks

Photosystem II (PSII) has the unique ability to perform water-splitting. With light-harvesting complexes, it forms the PSII supercomplex (PSII-SC) which is a functional unit that can perform efficient energy conversion, as well as photoprotection, allowing photosynthetic organisms to adapt to the naturally fluctuating sunlight intensity. Achieving these functions requires a collaborative energy transfer network between all subunits of the PSII-SC. In this work, we perform kinetic analyses and characterise the energy landscape of the PSII-SC with a structure-based energy transfer model. With first passage time analyses and kinetic Monte Carlo simulations, we are able to map out the overall energy transfer network. We also investigate how energy transfer pathways are affected when individual protein complexes are removed from the network, revealing the functional roles of the subunits of the PSII-SC. In addition, we provide a quantitative description of the flat energy landscape of the PSII-SC. We show that it is a unique landscape that produces multiple kinetically relevant pathways, corresponding to a high pathway entropy. These design principles are crucial for balancing efficient energy conversion and photoprotection.