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 hydrolys...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).展开更多
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...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.展开更多
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 ...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.展开更多
Developing megahertz(MHz)electromagnetic wave(EMW)absorption materials with broadband absorption,multi-temperature adaptability,and facile preparation method remains a challenge.Herein,nanocrystalline FeCoNiCr_(0.4)Cu...Developing megahertz(MHz)electromagnetic wave(EMW)absorption materials with broadband absorption,multi-temperature adaptability,and facile preparation method remains a challenge.Herein,nanocrystalline FeCoNiCr_(0.4)Cu_(0.2) high-entropy alloy powders(HEAs)with both large aspect ratios and thin intergranular amorphous layers are constructed by a multistage mechanical alloying strategy,aiming to achieve excellent and temperature-stable permeability and EMW absorption.A single-phase face-centered cubic structure with good ductility and high crystallinity is obtained as wet milling precursors,via precisely controlling dry milling time.Then,HEAs are flattened to improve aspect ratios by synergistically regulating wet milling time.FeCoNiCr_(0.4)Cu_(0.2) HEAs with dry milling 20 h and wet milling 5 h(D20)exhibit higher and more stable permeability because of larger aspect ratios and thinner intergranular amorphous layers.The maximum reflection loss(RL)of D20/SiO_(2) composites is greater than-7 dB with 5 mm thickness,and EMW absorption bandwidth(RL<-7 dB)can maintain between 523 and 600 MHz from-50 to 150℃.Furthermore,relying on the“cocktail effect”of HEAs,D20 sample also exhibits excellent corrosion resistance and high Curie temperature.This work provides a facile and tunable strategy to design MHz electromagnetic absorbers with temperature stability,broadband,and resistance to harsh environments.展开更多
There have been many interesting studies on high-entropy alloys（HEAs）, also known as multi-component（MC） alloys（MCAs）, in recent years. MC metallic-glasses（MGs） have shown the potential to express the advantag...There have been many interesting studies on high-entropy alloys（HEAs）, also known as multi-component（MC） alloys（MCAs）, in recent years. MC metallic-glasses（MGs） have shown the potential to express the advantages of MCAs and MGs in tandem. Amorphous phase formation rules are a crucial issue in the HEA and MCA field. For equal or near-equal atomic ratio alloys, mixed-entropy among the elements has a significant effect on the phase formation. This paper focuses on HEA amorphous phase formation rules. In the first two sections, the recent progress in amorphous phase formation in HEAs and MCAs is reviewed, including the effective factors and correlative parameters related to amorphous phase formation. In the third section, novel MCMGs including high-entropy（HE） bulk-metallic-glass（HE-BMG） and MCMG films developed in recent decades are summarized, and the giant-magnetic-impedance（GMI） effect of MC amorphous fibers is discussed.展开更多
High entropy alloys(HEAs)have excellent application prospects in catalysis because of their rich components and configuration space.In this work,we develop a Bayesian neural network(BNN)based on energies calculated wi...High entropy alloys(HEAs)have excellent application prospects in catalysis because of their rich components and configuration space.In this work,we develop a Bayesian neural network(BNN)based on energies calculated with density functional theory to search the configuration space of the CoNiRhRu HEA system.The BNN model was developed by considering six independent features of Co-Ni,Co-Rh,CoRu,Ni-Rh,Ni-Ru,and Rh-Ru in different shells and energies of structures as the labels.The root mean squared error of the energy predicted by BNN is 1.37 me V/atom.Moreover,the influence of feature periodicity on the energy of HEA in theoretical calculations is discussed.We found that when the neural network is optimized to a certain extent,only using the accuracy indicator of root mean square error to evaluate model performance is no longer accurate in some scenarios.More importantly,we reveal the importance of uncertainty quantification for neural networks to predict new structures of HEAs with proper confidence based on BNN.展开更多
Two quinary high-entropy alloys （HEAs） with equiatomic concentrations formed by doping either Cu or A1 elements into the quaternary NiFeCoCr alloy are produced by arc melting and spray casting techniques. Their entr...Two quinary high-entropy alloys （HEAs） with equiatomic concentrations formed by doping either Cu or A1 elements into the quaternary NiFeCoCr alloy are produced by arc melting and spray casting techniques. Their entropy of fusion, thermal expansion coefficient and thermal diffusivity are experimentally investigated with differential scanning cMorimetry, dilatometry and laser flash methods. The NiFeCoCrCu HEAs contain a face- centered cubic high-entropy phase plus a minor interdendritic （Cu） phase and display a lower entropy of fasion and the Vickers hardness. The NiFeCoCrAl HEAs consist of two body-centered cubie high-entropy phases with coarse dendritic structures and show higher entropy of fusion and the Vickers hardness. Both the thermal expansion coefficient and the thermal diffusivity of the former Cu-doped alloy are signitieantly larger than those of the latter At-doped M1oy. Although the temperature dependence of thermal diffusivity is similar for both HEAs, it is peculiar that the thermal expansion curve of the NiFeCoCrAl alloy exhibits an inflexion at temperatures of 860-912 K.展开更多
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...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.展开更多
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 dep...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.展开更多
The synthesis of carbon supporter/nanoscale high-entropy alloys(HEAs)electromagnetic response composites by carbothermal shock method has been identified as an advanced strategy for the collaborative competition engin...The synthesis of carbon supporter/nanoscale high-entropy alloys(HEAs)electromagnetic response composites by carbothermal shock method has been identified as an advanced strategy for the collaborative competition engineering of conductive/dielectric genes.Electron migration modes within HEAs as manipulated by the electronegativity,valence electron configurations and molar proportions of constituent elements determine the steady state and efficiency of equivalent dipoles.Herein,enlightened by skin-like effect,a reformative carbothermal shock method using carbonized cellulose paper(CCP)as carbon supporter is used to preserve the oxygencontaining functional groups(O·)of carbonized cellulose fibers(CCF).Nucleation of HEAs and construction of emblematic shell-core CCF/HEAs heterointerfaces are inextricably linked to carbon metabolism induced by O·.Meanwhile,the electron migration mode of switchable electronrich sites promotes the orientation polarization of anisotropic equivalent dipoles.By virtue of the reinforcement strategy,CCP/HEAs composite prepared by 35%molar ratio of Mn element(CCP/HEAs-Mn_(2.15))achieves efficient electromagnetic wave(EMW)absorption of−51.35 dB at an ultra-thin thickness of 1.03 mm.The mechanisms of the resulting dielectric properties of HEAs-based EMW absorbing materials are elucidated by combining theoretical calculations with experimental characterizations,which provide theoretical bases and feasible strategies for the simulation and practical application of electromagnetic functional devices(e.g.,ultra-wideband bandpass filter).展开更多
The appearance of high-entropy alloys (HEAs) makes it possible for a material to possess both high strength and high ductility. It is with great potential to apply HEAs under extreme conditions such as in the penetrat...The appearance of high-entropy alloys (HEAs) makes it possible for a material to possess both high strength and high ductility. It is with great potential to apply HEAs under extreme conditions such as in the penetration process. In this paper, experiments of WFeNiMo HEA and tungsten heavy alloy (WHA) projectiles penetrating medium-carbon steel were conducted by using the ballistic gun and two-stage light-gas gun that can accelerate projectiles to impact velocities ranging from 1162 m/s to 2130 m/s. Depth of penetration (DOP) at elevated impact velocities of HEA and WHA projectiles were obtained firstly. Combined with the macroscopic and microscopic analysis of the residual projectiles, the transition of the penetration mode of the WFeNiMo HEA projectile was identified systemically. The experimental results indicated that the penetration mode of the HEA projectile changes from self-sharpening to mushrooming with the increase of impact velocity, while for the WHA projectile, the penetration mode is always mushrooming. The microstructure of the residual HEA projectiles showed that the phases tangle with each other and the morphology of the microstructure of the phases differs in the two penetration modes. Besides, the evolution of shear bands and fractures varies in the two modes. The evolution of the microstructure of HEAs causes the sharp-pointed nose to disappear and the HEA projectile ultimately becomes blunt as the impact velocity increases.展开更多
Concentrated solid-solution alloys(CSAs)have demonstrated promising irradiation resistance depending on their compositions.Under irradiation,various defects can be produced.One of the most important parameters charact...Concentrated solid-solution alloys(CSAs)have demonstrated promising irradiation resistance depending on their compositions.Under irradiation,various defects can be produced.One of the most important parameters characterizing the defect production and the resulting defect number is the threshold displacement energies(Ed).In this work,we report the results of Ed values in a series of Ni-Fe-Cr concentrated solid solution alloys through molecular dynamics(MD)simulations.Based on several different empirical potentials,we show that the differences in the Ed values and its angular dependence are mainly due to the stiffness of the potential in the intermediate regime.The influences of different alloying elements and temperatures on Ed values in different CSAs are further evaluated by calculating the defect production probabilities.Our results suggest a limited influence of alloying elements and temperature on Ed values in concentrated alloys.Finally,we discuss the relationship between the primary damage and Ed values in different alloys.Overall,this work presents a thorough study on the Ed values in concentrated alloys,including the influence of empirical potentials,their angular dependence,temperature dependence,and effects on primary defect production.展开更多
基金financed by the National Key Research and Development Program of China [2022YFB3803703]the National Natural Science Foundation of China [52071141, 52271212, 52201250, 51771056]the Interdisciplinary Innovation Program of North China Electric Power University [XM2112355]。
文摘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).
基金Project support provided by the National Natural Science Foundation of China(Grant No.12075200)the National Key Research and Development Program of China(Grant No.2022YFB3706004)。
文摘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.
基金Project supported by the Natural Science Foundation of Jiangsu Province of China(Grant Nos.BK20220407 and BK20220428)。
文摘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.
基金the Supported by Program for the National Natural Science Foundation of China(No.52071053,U1704253,52103334)China Postdoctoral Science Foundation(2020M670748,2020M680946)the Fundamental Research Funds for the Central Universities(DUT20GF111).
文摘Developing megahertz(MHz)electromagnetic wave(EMW)absorption materials with broadband absorption,multi-temperature adaptability,and facile preparation method remains a challenge.Herein,nanocrystalline FeCoNiCr_(0.4)Cu_(0.2) high-entropy alloy powders(HEAs)with both large aspect ratios and thin intergranular amorphous layers are constructed by a multistage mechanical alloying strategy,aiming to achieve excellent and temperature-stable permeability and EMW absorption.A single-phase face-centered cubic structure with good ductility and high crystallinity is obtained as wet milling precursors,via precisely controlling dry milling time.Then,HEAs are flattened to improve aspect ratios by synergistically regulating wet milling time.FeCoNiCr_(0.4)Cu_(0.2) HEAs with dry milling 20 h and wet milling 5 h(D20)exhibit higher and more stable permeability because of larger aspect ratios and thinner intergranular amorphous layers.The maximum reflection loss(RL)of D20/SiO_(2) composites is greater than-7 dB with 5 mm thickness,and EMW absorption bandwidth(RL<-7 dB)can maintain between 523 and 600 MHz from-50 to 150℃.Furthermore,relying on the“cocktail effect”of HEAs,D20 sample also exhibits excellent corrosion resistance and high Curie temperature.This work provides a facile and tunable strategy to design MHz electromagnetic absorbers with temperature stability,broadband,and resistance to harsh environments.
基金supported by the National Natural Science Foundation of China(Grant No.51471025)
文摘There have been many interesting studies on high-entropy alloys（HEAs）, also known as multi-component（MC） alloys（MCAs）, in recent years. MC metallic-glasses（MGs） have shown the potential to express the advantages of MCAs and MGs in tandem. Amorphous phase formation rules are a crucial issue in the HEA and MCA field. For equal or near-equal atomic ratio alloys, mixed-entropy among the elements has a significant effect on the phase formation. This paper focuses on HEA amorphous phase formation rules. In the first two sections, the recent progress in amorphous phase formation in HEAs and MCAs is reviewed, including the effective factors and correlative parameters related to amorphous phase formation. In the third section, novel MCMGs including high-entropy（HE） bulk-metallic-glass（HE-BMG） and MCMG films developed in recent decades are summarized, and the giant-magnetic-impedance（GMI） effect of MC amorphous fibers is discussed.
基金supported by the Shanghai Rising-Star Program (20QA1406800)the National Natural Science Foundation of China (22072091,91745102,92045301)。
文摘High entropy alloys(HEAs)have excellent application prospects in catalysis because of their rich components and configuration space.In this work,we develop a Bayesian neural network(BNN)based on energies calculated with density functional theory to search the configuration space of the CoNiRhRu HEA system.The BNN model was developed by considering six independent features of Co-Ni,Co-Rh,CoRu,Ni-Rh,Ni-Ru,and Rh-Ru in different shells and energies of structures as the labels.The root mean squared error of the energy predicted by BNN is 1.37 me V/atom.Moreover,the influence of feature periodicity on the energy of HEA in theoretical calculations is discussed.We found that when the neural network is optimized to a certain extent,only using the accuracy indicator of root mean square error to evaluate model performance is no longer accurate in some scenarios.More importantly,we reveal the importance of uncertainty quantification for neural networks to predict new structures of HEAs with proper confidence based on BNN.
基金Supported by the National Natural Science Foundation of China under Grant Nos 51571163,51371150,51271150 and 51327901
文摘Two quinary high-entropy alloys （HEAs） with equiatomic concentrations formed by doping either Cu or A1 elements into the quaternary NiFeCoCr alloy are produced by arc melting and spray casting techniques. Their entropy of fusion, thermal expansion coefficient and thermal diffusivity are experimentally investigated with differential scanning cMorimetry, dilatometry and laser flash methods. The NiFeCoCrCu HEAs contain a face- centered cubic high-entropy phase plus a minor interdendritic （Cu） phase and display a lower entropy of fasion and the Vickers hardness. The NiFeCoCrAl HEAs consist of two body-centered cubie high-entropy phases with coarse dendritic structures and show higher entropy of fusion and the Vickers hardness. Both the thermal expansion coefficient and the thermal diffusivity of the former Cu-doped alloy are signitieantly larger than those of the latter At-doped M1oy. Although the temperature dependence of thermal diffusivity is similar for both HEAs, it is peculiar that the thermal expansion curve of the NiFeCoCrAl alloy exhibits an inflexion at temperatures of 860-912 K.
基金Project supported by the National Natural Science Foundation of China (Grant No.12272118)the National Key Research and Development Program of China (Grant No.2022YFE03030003)。
文摘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.
基金supported by Stability Supports Research Project of Treasury Department(No.197801)Talent Fund of CIAE(No.219213)。
文摘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.
基金Financial support from the National Natural Science Foundation of China(52372289,52102368,52231007,12327804,T2321003,22088101,22178037 and U22A20424)Regional Joint Fund for Basic Research and Applied Basic Research of Guangdong Province(No.2020A1515110905)+1 种基金Guangdong Special Fund for key Areas(20237DZX3042)Shenzhen Stable Support Project,Liaoning Revitalization Talents Program(XLYC2002114)are highly appreciated.
文摘The synthesis of carbon supporter/nanoscale high-entropy alloys(HEAs)electromagnetic response composites by carbothermal shock method has been identified as an advanced strategy for the collaborative competition engineering of conductive/dielectric genes.Electron migration modes within HEAs as manipulated by the electronegativity,valence electron configurations and molar proportions of constituent elements determine the steady state and efficiency of equivalent dipoles.Herein,enlightened by skin-like effect,a reformative carbothermal shock method using carbonized cellulose paper(CCP)as carbon supporter is used to preserve the oxygencontaining functional groups(O·)of carbonized cellulose fibers(CCF).Nucleation of HEAs and construction of emblematic shell-core CCF/HEAs heterointerfaces are inextricably linked to carbon metabolism induced by O·.Meanwhile,the electron migration mode of switchable electronrich sites promotes the orientation polarization of anisotropic equivalent dipoles.By virtue of the reinforcement strategy,CCP/HEAs composite prepared by 35%molar ratio of Mn element(CCP/HEAs-Mn_(2.15))achieves efficient electromagnetic wave(EMW)absorption of−51.35 dB at an ultra-thin thickness of 1.03 mm.The mechanisms of the resulting dielectric properties of HEAs-based EMW absorbing materials are elucidated by combining theoretical calculations with experimental characterizations,which provide theoretical bases and feasible strategies for the simulation and practical application of electromagnetic functional devices(e.g.,ultra-wideband bandpass filter).
基金This work is funded by the National Natural Science Foundation of China(No.11790292)the NSAF Joint Fund(No.U1730101).
文摘The appearance of high-entropy alloys (HEAs) makes it possible for a material to possess both high strength and high ductility. It is with great potential to apply HEAs under extreme conditions such as in the penetration process. In this paper, experiments of WFeNiMo HEA and tungsten heavy alloy (WHA) projectiles penetrating medium-carbon steel were conducted by using the ballistic gun and two-stage light-gas gun that can accelerate projectiles to impact velocities ranging from 1162 m/s to 2130 m/s. Depth of penetration (DOP) at elevated impact velocities of HEA and WHA projectiles were obtained firstly. Combined with the macroscopic and microscopic analysis of the residual projectiles, the transition of the penetration mode of the WFeNiMo HEA projectile was identified systemically. The experimental results indicated that the penetration mode of the HEA projectile changes from self-sharpening to mushrooming with the increase of impact velocity, while for the WHA projectile, the penetration mode is always mushrooming. The microstructure of the residual HEA projectiles showed that the phases tangle with each other and the morphology of the microstructure of the phases differs in the two penetration modes. Besides, the evolution of shear bands and fractures varies in the two modes. The evolution of the microstructure of HEAs causes the sharp-pointed nose to disappear and the HEA projectile ultimately becomes blunt as the impact velocity increases.
基金the National Natural Science Foundation of China(Grant No.11975193)City University of Hong Kong(Grant No.9610425)+3 种基金Research Grants Council of Hong Kong,China(Grant No.21200919)Guangdong Basic and Applied Basic Research Foundation,China(Grant No.2019A1515011528)Shenzhen Basic Research Program(Grant No.JCYJ20190808181601662)Sichuan Science and Technology Program(Grant No.2021YJ0516).
文摘Concentrated solid-solution alloys(CSAs)have demonstrated promising irradiation resistance depending on their compositions.Under irradiation,various defects can be produced.One of the most important parameters characterizing the defect production and the resulting defect number is the threshold displacement energies(Ed).In this work,we report the results of Ed values in a series of Ni-Fe-Cr concentrated solid solution alloys through molecular dynamics(MD)simulations.Based on several different empirical potentials,we show that the differences in the Ed values and its angular dependence are mainly due to the stiffness of the potential in the intermediate regime.The influences of different alloying elements and temperatures on Ed values in different CSAs are further evaluated by calculating the defect production probabilities.Our results suggest a limited influence of alloying elements and temperature on Ed values in concentrated alloys.Finally,we discuss the relationship between the primary damage and Ed values in different alloys.Overall,this work presents a thorough study on the Ed values in concentrated alloys,including the influence of empirical potentials,their angular dependence,temperature dependence,and effects on primary defect production.
