Study on the hydrogen absorption properties of a YGdTbDyHo rare-earth high-entropy alloy

This study investigated the microstructure and hydrogen absorption properties of a rare-earth high-entropy alloy(HEA),YGdTbDyHo.Results indicated that the YGdTbDyHo alloy had a microstructure of equiaxed grains,with the alloy elements distributed homogeneously.Upon hydrogen absorption,the phase structure of the HEA changed from a solid solution with an hexagonal-close-packed(HCP)structure to a high-entropy hydride with an faced-centered-cubic(FCC)structure without any secondary phase precipitated.The alloy demonstrated a maximum hydrogen storage capacity of 2.33 H/M(hydrogen atom/metal atom)at 723 K,with an enthalpy change(ΔH)of-141.09 kJ·mol^(-1)and an entropy change(ΔS)of-119.14 J·mol^(-1)·K^(-1).The kinetic mechanism of hydrogen absorption was hydride nucleation and growth,with an apparent activation energy(E_(a))of 20.90 kJ·mol^(-1).Without any activation,the YGdTbDyHo alloy could absorb hydrogen quickly(180 s at 923 K)with nearly no incubation period observed.The reason for the obtained value of 2.33 H/M was that the hydrogen atoms occupied both tetrahedral and octahedral interstices.These results demonstrate the potential application of HEAs as a high-capacity hydrogen storage material with a large H/M ratio,which can be used in the deuterium storage field.

Influence of Al,Cu and Mn additions on diffusion behaviors in CoCrFeNi high-entropy alloys

The interdiffusion coefficients in Al_(0.2)CoCrFeNi,CoCrCu_(0.2)FeNi,and CoCrFeMn_(0.2)Ni high-entropy alloys were efficiently determined by combining diffusion couple experiments and high-throughput determination of interdiffusion coefficients(HitDIC)software at 1273−1373 K.The results show that the addition of Al,Cu,and Mn to CoCrFeNi high-entropy alloys promotes the diffusion of Co,Cr,and Fe atoms.The comparison of tracer diffusion coefficients indicates that there is no sluggish diffusion in tracer diffusion on the thermodynamic temperature scale for the present Al_(0.2)CoCrFeNi,CoCrCu_(0.2)FeNi,and CoCrFeMn_(0.2)Ni high-entropy alloys.The linear relationship between diffusion entropy and activation energy reveals that the diffusion process of atoms is unaffected by an increase in the number of components as long as the crystal structure remains unchanged.

Relationship between the unique microstructures and behaviors of high-entropy alloys

High-entropy alloys(HEAs),which were introduced as a pioneering concept in 2004,have captured the keen interest of nu-merous researchers.Entropy,in this context,can be perceived as representing disorder and randomness.By contrast,elemental composi-tions within alloy systems occupy specific structural sites in space,a concept referred to as structure.In accordance with Shannon entropy,structure is analogous to information.Generally,the arrangement of atoms within a material,termed its structure,plays a pivotal role in dictating its properties.In addition to expanding the array of options for alloy composites,HEAs afford ample opportunities for diverse structural designs.The profound influence of distinct structural features on the exceptional behaviors of alloys is underscored by numer-ous examples.These features include remarkably high fracture strength with excellent ductility,antiballistic capability,exceptional radi-ation resistance,and corrosion resistance.In this paper,we delve into various unique material structures and properties while elucidating the intricate relationship between structure and performance.

Effect of hafnium and molybdenum addition on inclusion characteristics in Co-based dual-phase high-entropy alloys

Specific grades of high-entropy alloys(HEAs)can provide opportunities for optimizing properties toward high-temperature applications.In this work,the Co-based HEA with a chemical composition of Co_(47.5)Cr_(30)Fe_(7.5)Mn_(7.5)Ni_(7.5)(at%)was chosen.The refractory metallic elements hafnium(Hf)and molybdenum(Mo)were added in small amounts(1.5at%)because of their well-known positive effects on high-temperature properties.Inclusion characteristics were comprehensively explored by using a two-dimensional cross-sectional method and extracted by using a three-dimensional electrolytic extraction method.The results revealed that the addition of Hf can reduce Al_(2)O_(3)inclusions and lead to the formation of more stable Hf-rich inclusions as the main phase.Mo addition cannot influence the inclusion type but could influence the inclusion characteristics by affecting the physical parameters of the HEA melt.The calculated coagulation coefficient and collision rate of Al_(2)O_(3)inclusions were higher than those of HfO_(2)inclusions,but the inclusion amount played a larger role in the agglomeration behavior of HfO_(2)and Al_(2)O_(3)inclusions.The impurity level and active elements in HEAs were the crucial factors affecting inclusion formation.

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

FeCoCrNiMox composite powders were prepared using the mechanical alloying technique and made into high-entropy alloy(HEA)coatings with the face-centered cubic phase using plasma spraying to address the element segregation problem in HEAs and pre-pare uniform HEA coatings.Scanning electron microscopy,transmission electron microscopy,and X-ray diffractometry were employed to characterize these coatings’microstructure and phase composition.The hardness,elastic modulus,and fracture toughness of coatings were tested,and the corrosion resistance was analyzed in simulated seawater.Results show that the hardness of the coating is HV0.1606.15,the modulus of elasticity is 128.42 GPa,and the fracture toughness is 43.98 MPa·m^(1/2).The corrosion potential of the coating in 3.5wt%NaCl solution is-0.49 V,and the corrosion current density is 1.2×10^(−6)A/cm^(2).The electrochemical system comprises three parts:the electrolyte,the adsorption and metallic oxide films produced during immersion,and the FeCoNiCrMo HEA coating.Over in-creasingly long periods,the corrosion reaction rate increases first and then decreases,the corrosion product film comprising metal oxides reaches a dynamic balance between formation and dissolution,and the internal reaction of the coating declines.

Selective Hydrodeoxygenation of Lignin-Derived Vanillin via Hetero-Structured High-Entropy Alloy/Oxide Catalysts

The chemoselective hydrodeoxygenation of natural lignocellulosic materials plays a crucial role in converting biomass into value-added chemicals.Yet their complex molecular structures often require multiple active sites synergy for effective activation and achieving high chemoselectivity.Herein,it is reported that a high-entropy alloy(HEA)on high-entropy oxide(HEO)hetero-structured catalyst for highly active,chemoselective,and robust vanillin hydrodeoxygenation.The heterogenous HEA/HEO catalysts were prepared by thermal reduction of senary HEOs(NiZnCuFeAlZrO_(x)),where exsolvable metals(e.g.,Ni,Zn,Cu)in situ emerged and formed randomly dispersed HEA nanoparticles anchoring on the HEO matrix.This catalyst exhibits excellent catalytic performance:100%conversion of vanillin and 95%selectivity toward high-value 2-methyl-4 methoxy phenol at low temperature of 120℃,which were attributed to the synergistic effect among HEO matrix(with abundant oxygen vacancies),anchored HEA nanoparticles(having excellent hydrogenolysis capability),and their intimate hetero-interfaces(showing strong electron transferring effect).Therefore,our work reported the successful construction of HEA/HEO heterogeneous catalysts and their superior multifunctionality in biomass conversion,which could shed light on catalyst design for many important reactions that are complex and require multifunctional active sites.

Preparation and Properties of Cu-Containing High-entropy Alloy Nitride Films by Magnetron Sputtering on Titanium Alloy

Magnetron sputtering deposition with regulated Cu target power was used for depositing Cu-containing high-entropy alloy nitride(Cu-(HEA)N)films on TC4 titanium alloy substrates.The microscopic morphologies,surface compositions,and thicknesses of the films were characterized using SEM+EDS;the anti-corrosion,wear resistance and antibacterial properties of the films in simulated seawater were investigated.The experimental results show that all four Cu-(HEA)N films are uniformly dense and contained nanoparticles.The film with Cu doping come into contact with oxygen in the air to form cuprous oxide.The corrosion resistance of the(HEA)N film without Cu doping on titanium alloy is better than the films with Cu doping.The Cu-(HEA)N film with Cu target power of 16 W shows the best wear resistance and antibacterial performance,which is attributed to the fact that Cu can reduce the coefficient of friction and exacerbate corrosion,and the formation of cuprous oxide has antibacterial properties.The findings of this study provide insights for engineering applications of TC4 in the marine field.

Accelerated intermetallic phase amorphization in a Mg-based high-entropy alloy powder

We describe a novel mechanism for the synthesis of a stable high-entropy alloy powder from an otherwise immiscible Mg-Ti rich metallic mixture by employing high-energy mechanical milling.The presented methodology expedites the synthesis of amorphous alloy powder by strategically injecting entropic disorder through the inclusion of multi-principal elements in the alloy composition.Predictions from first principles and materials theory corroborate the results from microscopic characterizations that reveal a transition of the amorphous phase from a precursor intermetallic structure.This transformation,characterized by the emergence of antisite disorder,lattice expansion,and the presence of nanograin boundaries,signifies a departure from the precursor intermetallic structure.Additionally,this phase transformation is accelerated by the presence of multiple principal elements that induce severe lattice distortion and a higher configurational entropy.The atomic size mismatch of the dissimilar elements present in the alloy produces a stable amorphous phase that resists reverting to an ordered lattice even on annealing.

Utlra-fast hydrolysis performance of MgH_(2) catalyzed by Ti-Zr-Fe-Mn-Cr-V high-entropy alloys

Hydrogen energy is one of the ideal energy alternatives and the upstream of the hydrogen industry chain is hydrogen production,which can be achieved via the reaction of inorganic materials with water,known as hydrolysis.Among inorganic materials,the high hydrogen capacity for hydrolysis of MgH_(2)(15.2 wt%)makes it a promising material for hydrogen production via hydrolysis.However,the dense Mg(OH)_(2) passivation layer will block the reaction between MgH_(2) and the solution,resulting in low hydrogen yield and sluggish hydrolysis kinetics.In this work,the hydrogenyield and hydrogen generation rate of MgH_(2) are considerably enhanced by adding Ti-Zr-Fe-Mn-Cr-V high-entropy alloys(HEAs) for the first time.In particular.the MgH_(2)-3 wt% TiZrFe_(1.5)MnCrV_(0.5)(labelled as MgH_(2)-3 wt% Fe_(1.5)) composite releases 1526.70 mL/g H_(2) within 5 min at 40℃,and the final hydrolysis conversion rate reaches 95.62% within 10 min.The mean hydrogen generation rate of the MgH_(2)-3 wt% Fe_(1.5) composite is 289.16 mL/g/min,which is 2.38 times faster than that of pure MgH_(2).Meanwhile,the activation energy of the MgH_(2)-3 wt% Fe_(1.5) composite is calculated to be 12.53 kJ/mol. The density functional theory(DFT) calculation reveals that the addition of HEAs weakens the Mg-H bonds and accelerates the electron transfer between MgH_(2) and HEAs,Combined with the cocktail effect of HEAs as well as the formation of more interfaces and micro protocells,the hydrolysis performance of MgH_(2) is considerably improved.This work provides an appealing prospect for real-time hydrogen supply and offers a new effective strategy for improving the hydrolysis performance of MgH_(2).

Comprehensive insights into recent innovations:Magnesium-inclusive high-entropy alloys

This review focuses on thermodynamic and physical parameters,synthesis methods,and reported phases of Magnesium(Mg)containing high-entropy alloys(HEAs).Statistical data of publications concerning Mg-containing HEAs were collected and analyzed.Data on the chemical elements included in Mg-containing HEAs,their theoretical end experimental densities,thermodynamic parameters,physical parameters,fabricated techniques and reported phases were also collected and discussed.On the basis of this information,a new classification for HEAs was proposed.It is also shown that the existing thermodynamic parameters cannot accurately predict the formation of a single phase solid solution for Mg-containing HEAs.The physical parameters of Mg-containing HEAs are within a wide range,and most of the synthesized Mg-containing HEAs have a complex multiphase structure.

Evolution of helium bubbles in FeCoNiCr-based high-entropy alloys containing γ′ nanoprecipitates

A series of high-entropy alloys(HEAs) containing nanoprecipitates of varying sizes is successfully prepared by a non-consuming vacuum arc melting method.In order to study the irradiation evolution of helium bubbles in the FeCoNiCrbased HE As with γ' precipitates,these samples are irradiated by 100-keV helium ions with a fluence of 5 × 10^(20) ions/m^(2) at 293 K and 673 K,respectively.And the samples irradiated at room temperature are annealed at different temperatures to examine the diffusion behavior of helium bubbles.Transmission electron microscope(TEM) is employed to characterize the structural morphology of precipitated nanoparticles and the evolution of helium bubbles.Experimental results reveal that nanosized,spherical,dispersed,coherent,and ordered L1_(2)-type Ni_(3)Ti γ' precipitations are introduced into FeCoNiCr(Ni_(3)Ti)_(0.1) HEAs by means of ageing treatments at temperatures between 1073 K and 1123 K.Under the ageing treatment conditions adopted in this work,γ' nanoparticles are precipitated in FeCoNiCr(Ni_(3)Ti)_(0.1) HE As,with average diameters of 15.80 nm,37.09 nm,and 62.50 nm,respectively.The average sizes of helium bubbles observed in samples after 673-K irradiation are 1.46 nm,1.65 nm,and 1.58 nm,respectively.The improvement in the irradiation resistance of FeCoNiCr(Ni_(3)Ti)_(0.1) HEAs is evidenced by the diminution in bubbles size.Furthermore,the FeCoNiCr(Ni_(3)Ti)_(0.1) HEAs containing γ' precipitates of 15.8 nm exhibits the minimum size and density of helium bubbles,which can be ascribed to the considerable helium trapping effects of heterogeneous coherent phase boundaries.Subsequently,annealing experiments conducted after 293-K irradiation indicate that HEAs containing precipitated phases exhibits smaller apparent activation energy(E_(a)) for helium bubbles,resulting in larger helium bubble size.This study provides guidance for improving the irradiation resistance of L1_(2)-strengthened high-entropy alloy.

Effect of Mn content on microstructure and properties of AlCrCuFeMnx high-entropy alloy

AlCrCuFeMnx(x=0,0.5,1,1.5,and 2)high-entropy alloys were prepared using the vacuum arc melting technology.The microstructure and mechanical properties of AlCrCuFeMnxwere analyzed and tested by XRD,SEM,TEM,nanoindentation,and electronic universal testing.The results indicate that the AlCrCuFeMnxhigh-entropy alloy exhibits a dendritic structure,consisting of dendrites with a BCC structure,interdendrite regions with an FCC structure,and precipitates with an ordered BCC structure that form within the dendrite.Manganese(Mn)has a strong affinity for dendritic,interdendritic,and precipitate structures,allowing it to easily enter these areas.With an increase in Mn content,the size of the precipitated nanoparticles in the dendritic region initially increases and then decreases.Similarly,the area fraction initially decreases and then increases.Additionally,the alloy’s strength and wear resistance decrease,while its plasticity increases.The Al Cr Cu Fe Mn1.5alloy boasts excellent mechanical properties,including a hardness of 360 HV and a wear rate of 2.4×10^(-5)mm^(3)·N^(-1)·mm^(-1).It also exhibits impressive yield strength,compressive strength,and deformation rates of 960 MPa,1,700 MPa,and 27.5%,respectively.

High-entropy alloys in thermoelectric application:A selective review

Since the superior mechanical,chemical and physical properties of high-entropy alloys(HEAs)were discovered,they have gradually become new emerging candidates for renewable energy applications.This review presents the novel applications of HEAs in thermoelectric energy conversion.Firstly,the basic concepts and structural properties of HEAs are introduced.Then,we discuss a number of promising thermoelectric materials based on HEAs.Finally,the conclusion and outlook are presented.This article presents an advanced understanding of the thermoelectric properties of HEAs,which provides new opportunities for promoting their applications in renewable energy.

Atomistic evaluation of tension–compression asymmetry in nanoscale body-centered-cubic AlCrFeCoNi high-entropy alloy

The tension and compression of face-centered-cubic high-entropy alloy(HEA) nanowires are significantly asymmetric, but the tension–compression asymmetry in nanoscale body-centered-cubic(BCC) HEAs is still unclear. In this study,the tension–compression asymmetry of the BCC Al Cr Fe Co Ni HEA nanowire is investigated using molecular dynamics simulations. The results show a significant asymmetry in both the yield and flow stresses, with BCC HEA nanowire stronger under compression than under tension. The strength asymmetry originates from the completely different deformation mechanisms in tension and compression. In compression, atomic amorphization dominates plastic deformation and contributes to the strengthening, while in tension, deformation twinning prevails and weakens the HEA nanowire.The tension–compression asymmetry exhibits a clear trend of increasing with the increasing nanowire cross-sectional edge length and decreasing temperature. In particular, the compressive strengths along the [001] and [111] crystallographic orientations are stronger than the tensile counterparts, while the [110] crystallographic orientation shows the exactly opposite trend. The dependences of tension–compression asymmetry on the cross-sectional edge length, crystallographic orientation,and temperature are explained in terms of the deformation behavior of HEA nanowire as well as its variations caused by the change in these influential factors. These findings may deepen our understanding of the tension–compression asymmetry of the BCC HEA nanowires.

Adhesion property of AlCrNbSiTi high-entropy alloy coating on zirconium:experimental and theoretical studies

Experimental scratch tests and first-principles calculations were used to investigate the adhesion property of AlCrNbSiTi high-entropy alloy(HEA)coatings on zirconium substrates.AlCrNbSiTi HEA and Cr coatings were deposited on Zr alloy substrates using multi-arc ion plating technology,and scratch tests were subsequently conducted to estimate the adhesion property of the coatings.The results indicated that Cr coatings had better adhesion strength than HEA coatings,and the HEA coatings showed brittleness.The special quasi-random structure approach was used to build HEA models,and Cr/Zr and HEA/Zr interface models were employed to investigate the cohesion between the coatings and Zr substrate using first-principles calculations.The calculated interface energies showed that the cohesion between the Cr coating and the Zr substrate was stronger than that of the HEA coating with Zr.In contrary to Al or Si in the HEA coating,Cr,Nb,and Ti atoms binded strongly with Zr substrate.Based on the calculated elastic constants,it was found that low Cr and high Al content decreased the mechanical performances of HEA coatings.Finally,this study demonstrated the utilization of a combined approach involving first-principles calculations and experimental studies for future HEA coating development.

Investigation on microstructures and properties of semi-solid Al_(80)Mg_(5)Li_(5)Zn_(5)Cu_(5)light-weight high-entropy alloy during isothermal heat treatment process

The Al_(80)Mg_(5)Li_(5)Zn_(5)Cu_(5)light-weight high-entropy alloy with globular microstructure was fabricated by isothermal heat treatment.The effects of isothermal temperatures and holding times on the semi-solid microstructure evolution were investigated.The results indicate that,with increase of the isothermal temperature,the average grain size increases and the spheroidization time shortens.With prolongation of holding time,the shape factor increases firstly and then decreases,and the average grain size decreases at first and then increases when the isothermal temperature is below 520°C,however it increases gradually at 540℃.The optimal semi-solid microstructure is obtained at 520℃ for 30 min,whose shape factor and average grain size are 0.90 and 56.4μm,respectively.Compared with as-cast Al_(80)Mg_(5)Li_(5)Zn_(5)Cu_(5) light-weight high-entropy alloy,the compressive strength and plasticity of semi-solid Al_(80)Mg_(5)Li_(5)Zn_(5)Cu_(5) light-weight high-entropy alloy are increased by 36%and 108%,respectively.The formation of semi-solid microstructures includes three stages:melting separation,spheroidization,and coarsening growth.The sluggish diffusion effect of Al_(80)Mg_(5)Li_(5)Zn_(5)Cu_(5) light-weight high-entropy alloy leads to a low coarsening rate,resulting in slow grain growth.

Enhancement of Near-Field Radiative Heat Transfer based on High-Entropy Alloys

The enhancement of near-field radiative heat transfer(NFRHT)has now become one of the research hotspots in the fieldsof thermal management and imaging due to its ability to improve the performance of near-field thermoelectric devices and near-field imaging systems.In this paper,we design three structures(multilayer structure,nanoporous structure,and nanorod structure)based on high-entropy alloys to realize the enhancement of NFRHT.By combining stochastic electrodynamicsand Maxwell-Garnett's description of the effective medium,we calculate the radiative heat transfer under different parametersand find that the nanoporousstructure has the largest enhancement effect on NFRHT.The near-field heat transfer factor(q)of this structure(q=1.40×10^(9)W/(m^(2)·K))is three times higher than that of the planestructure(q=4.6×10^(8)W/(m^(2)·K)),and about two orders of magnitude higher than that of the SiO2plate.Thisresult providesa freshidea for the enhancement of NFRHT and will promote the application of high-entropy alloy materials in near-field heat radiation.

Structure and properties of FeCoNiCrCu_(0.5)Al_x high-entropy alloy

Effects of Al content and heat treatment on the structure,hardness and electrochemical properties of FeCoNiCrCu0.5Alx high-entropy alloys were investigated.The phase structure of as-cast alloys evolves from FCC phase to BCC phase with the increase of Al content.The stable phase of FeCoNiCrCu0.5Alx high-entropy alloys will transform from FCC phase to FCC＋BCC duplex phases when x value increases from 0.5 to 1.5.The hardness of BCC phase is higher than that of FCC phase,and the corrosion resistance of BCC phase is better than FCC phase in chlorine ion and acid medium.High hardness and good corrosion resistance can be obtained in as-cast FeCoNiCrCu0.5Al1.0 alloy.

Oxidation behavior of high-entropy alloys Al_xCoCrFeNi(x=0.15, 0.4) in supercritical water and comparison with HR3C steel

The oxidation behaviors of high-entropy alloys AlxCoCrFeNi(x=0.15, 0.4) in supercritical water at 550 and 600 °C were studied, and compared with HR3 C steel. All oxide films formed on alloys are composed of spinel type(Fe, Cr)3O4 oxides. Compared with the oxide film on HR3 C steel, thinner oxide films with smaller size of oxide particles were realized on Al0.15 CoCrFeNi and Al0.4CoCrFeNi, indicating a superior oxidation resistance of Al0.15 CoCrFeNi and Al0.4CoCrFeNi to HR3 C steel. Electrochemical test results reveal that surface oxide films greatly affect the electrochemical corrosion behavior of the oxidized alloys in 3.5% Na Cl solution. The relatively high corrosion resistance of oxidized Al0.15 CoCrFeNi and HR3 C is attributed to the formation of thick and multi-layer oxides.

Effect of process parameters on the microstructure and properties of laser-clad FeNiCoCrTi0.5 high-entropy alloy coating

FeNiCoCrTi0.5 coatings with different process parameters were fabricated by laser cladding. The macro-morphology, phase, microstructure, hardness, and wear resistance of each coating were studied. The smoothness and dilution rate of the FeNiCoCrTi0.5 coating generally increased with the increase of specific energy(Es), which is the laser irradiation energy received by a unit area. FeNiCoCrTi0.5 coatings at different parameters had bcc, fcc, and Ti-rich phases as well as equiaxed, dendritic, and columnar structures. When Es increased, the size of each structure increased and the distribution area of the columnar and dendritic structures changed. The prepared FeNiCoCrTi0.5 coating with the Es of 72.22 J·mm-2 had the highest hardness and the best wear resistance, the highest hardness of the coating reached HV 498.37, which is twice the substrate hardness. The average hardness of the FeNiCoCrTi0.5 coating with the Es of 72.22 J·mm-2 was 15.8% higher than the lowest average hardness of the coating with the Es of 108.33 J·mm-2. The worn surface morphologies indicate that the FeNiCoCrTi0.5 coatings exhibited abrasive wear.