A series of TiAl+Nb alloys with various Nb contents has been employed to explore phase relationship and the evolution of microstructure.A new ordered γ derivative (γ1) has been observed in the alloy containing 20 at...A series of TiAl+Nb alloys with various Nb contents has been employed to explore phase relationship and the evolution of microstructure.A new ordered γ derivative (γ1) has been observed in the alloy containing 20 at% Nb.The additional diffraction spots added to the diffraction pattern of L10 (TiAl) structure have been found in the alloy containing Nb up to 11 at% in terms of further ordering.The transformation from L10 (TiAl) structure to the further ordering phase,γ1,is a continuous ordering process with the substitution of Nb atoms for Ti atoms in alloys with over-stoichiometric Al content of TiAl.The possible transformtion characterzation has been discussed.展开更多
This paper presents a joint optimization policy of preventive maintenance(PM)and spare ordering for single-unit systems,which deteriorate subject to the delay-time concept with three deterioration stages.PM activities...This paper presents a joint optimization policy of preventive maintenance(PM)and spare ordering for single-unit systems,which deteriorate subject to the delay-time concept with three deterioration stages.PM activities that combine a non-periodic inspection scheme with age-replacement are implemented.When the system is detected to be in the minor defective stage by an inspection for the first time,place an order and shorten the inspection interval.If the system has deteriorated to a severe defective stage,it is either repaired imperfectly or replaced by a new spare.However,an immediate replacement is required once the system fails,the maximal number of imperfect maintenance(IPM)is satisfied or its age reaches to a pre-specified threshold.In consideration of the spare’s availability as needed,there are three types of decisions,i.e.,an immediate or a delayed replacement by a regular ordered spare,an immediate replacement by an expedited ordered spare with a relative higher cost.Then,some mutually independent and exclusive renewal events at the end of a renewal cycle are discussed,and the optimization model of such a joint policy is further developed by minimizing the long-run expected cost rate to find the optimal inspection and age-replacement intervals,and the maximum number of IPM.A Monte-Carlo based integration method is also designed to solve the proposed model.Finally,a numerical example is given to illustrate the proposed joint optimization policy and the performance of the Monte-Carlo based integration method.展开更多
The perovskite manganite sample La0.3Ca0.7Mn1-xWxO3 （x = 0.08, 0.12） was prepared by the solid-state reaction method. The effect of W doping on the Mn site to La0.3Ca0.7MnO3 charge ordering phase and the changing pr...The perovskite manganite sample La0.3Ca0.7Mn1-xWxO3 （x = 0.08, 0.12） was prepared by the solid-state reaction method. The effect of W doping on the Mn site to La0.3Ca0.7MnO3 charge ordering phase and the changing process of magnetic properties were studied through the measurement of the M-T curve, M-H curves, and ESR curves of the sample. The results showed that when x = 0.08, the charge ordering （CO） phase exists in the system, the transition temperature Tco= 275 K, and the system exhibits PM when T 〉 275 K. The system transforms from spin-disordering paramagnetism to spin-ordering antiferromagnetism in the charge ordering state with the temperature decreasing from 275 K to 230 K. The long-range antiferromagnetism forms and AFM/CO states coexist between 230 K and 5 K. There is a little ferromagnetic component in the AFM/CO background in a low temperature range. When x = 0.12, the CO phase in the system has almost melted completely. There is a little remnant of the CO phase below 150 K. The system exhibits paramagnetism when T 〉 150 K and transforms from paramagnetism to ferromagnetism when T〈 150 K.展开更多
The beer game model is a typical paradigm used to study complex dynamics behaviours in production–distribution systems. The model, however, does not accord with current practical supply chain system models in discret...The beer game model is a typical paradigm used to study complex dynamics behaviours in production–distribution systems. The model, however, does not accord with current practical supply chain system models in discrete?type manufacturing industry, which are generally composed of retailers, distributors, manufacturers with internal sup?ply chain, and suppliers. To describe how ordering policies influence the complex dynamics behaviour modes and operating cost in a general discrete?type manufacturing industry supply chain system, a high dimension piecewise?linear dynamics model is built for the supply chain system. Five kinds of ordering policy combination are considered. The distribution of both the largest Lyapunov exponent of e ective inventory and average operating cost per cycle is obtained by simulation in a policy space. The simulation shows that for the general discrete?type manufacturing industry supply chain system, the upper chaotic corners emerge besides the lower chaotic corners in the policy space expressing the distribution of system behaviour mode, and that the ordering policies at each supply chain node as well as their combination have very significant e ect on the topology of the distribution of both system behaviour mode and operating cost in the policy space. We find that chaos is not always corresponding to high cost, and the "chaos amplification" is not completely relevant to the "cost amplification".展开更多
In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular...In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics simulation.In liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local structure.For Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid structure.Due to the coexistence of Y and Zn,the strong attractive interaction is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from Zn.What is more,the distribution of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn alloys.These results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level.展开更多
In order to understand the influence of ordering behaviors on the thermodynamic and mechanical properties of multi-principal element alloys(MPEAs),the temperature-dependent thermodynamic properties and mechanical prop...In order to understand the influence of ordering behaviors on the thermodynamic and mechanical properties of multi-principal element alloys(MPEAs),the temperature-dependent thermodynamic properties and mechanical properties of FCC_CoNiV MPEAs were comparatively predicted,where the alloys were modeled as the ordered configurations based on our previously predicted site occupying fractions(SOFs),as well as disordered configuration based on traditional special quasi-random structure(SQS).The ordering behavior not only improves the thermodynamic stability of the structure,but also increases the elastic properties and Vickers hardness.For example,at 973 K,the predicted bulk modulus(B),shear modulus(G),Young’s modulus(E),and Vickers hardness(HV)of FCC_CoNiV MPEA based on SOFs configuration are 187.82,79.03,207.93,and 7.58 GPa,respectively,while the corresponded data are 172.58,57.45,155.14,and 4.64 GPa for the SQS configuration,respectively.The Vickers hardness predicted based on SOFs agrees considerably well with the available experimental data,while it is underestimated obviously based on SQS.展开更多
Dear Editor,In this letter,a constrained networked predictive control strategy is proposed for the optimal control problem of complex nonlinear highorder fully actuated(HOFA)systems with noises.The method can effectiv...Dear Editor,In this letter,a constrained networked predictive control strategy is proposed for the optimal control problem of complex nonlinear highorder fully actuated(HOFA)systems with noises.The method can effectively deal with nonlinearities,constraints,and noises in the system,optimize the performance metric,and present an upper bound on the stable output of the system.展开更多
Alloying transition metals with Pt is an effective strategy for optimizing Pt-based catalysts toward the oxygen reduction reaction(ORR).Atomic ordered intermetallic compounds(IMC)provide unique electronic and geometri...Alloying transition metals with Pt is an effective strategy for optimizing Pt-based catalysts toward the oxygen reduction reaction(ORR).Atomic ordered intermetallic compounds(IMC)provide unique electronic and geometrical effects as well as stronger intermetallic interactions due to the ordered arrangement of metal atoms,thus exhibiting superior electrocata-lytic activity and durability.However,quantitatively analyzing the ordering degree of IMC and exploring the correlation between the ordering degree and ORR activity remains extremely challenging.Herein,a series of ternary Pt_(2)NiCo interme-tallic catalysts(o-Pt_(2)NiCo)with different ordering degree were synthesized by annealing temperature modulation.Among them,the o-Pt_(2)NiCo which annealed at 800℃for two hours exhibits the highest ordering degree and the optimal ORR ac-tivity,which the mass activity of o-Pt_(2)NiCo is 1.8 times and 2.8 times higher than that of disordered Pt_(2)NiCo alloy and Pt/C.Furthermore,the o-Pt_(2)NiCo still maintains 70.8%mass activity after 30,000 potential cycles.Additionally,the ORR activity test results for Pt_(2)NiCo IMC with different ordering degree also provide a positive correlation between the ordering degree and ORR activity.This work provides a prospective design direction for ternary Pt-based electrocatalysts.展开更多
In this paper,a new technique is introduced to construct higher-order iterative methods for solving nonlinear systems.The order of convergence of some iterative methods can be improved by three at the cost of introduc...In this paper,a new technique is introduced to construct higher-order iterative methods for solving nonlinear systems.The order of convergence of some iterative methods can be improved by three at the cost of introducing only one additional evaluation of the function in each step.Furthermore,some new efficient methods with a higher-order of convergence are obtained by using only a single matrix inversion in each iteration.Analyses of convergence properties and computational efficiency of these new methods are made and testified by several numerical problems.By comparison,the new schemes are more efficient than the corresponding existing ones,particularly for large problem sizes.展开更多
This study systematically investigates the influences of annealing treatment on the energy state,microstructure and macroscopic mechanical behaviors of metallic glasses(MGs).By reducing the energy state,the annealing ...This study systematically investigates the influences of annealing treatment on the energy state,microstructure and macroscopic mechanical behaviors of metallic glasses(MGs).By reducing the energy state,the annealing process significantly enhances the structural ordering degree and uniformity of MGs,thereby improving their overall mechanical reliability.Specifically,annealing promotes the formation of localized icosahedral short-range order,a structural signature that contributes to improved nanohardness and tensile strength.Furthermore,the release and redistribution of internal stress during annealing further optimize the internal stress state,significantly enhancing the fracture resistance and achieving reliable mechanical performance.This study not only elucidates the regulatory mechanisms of annealing on the microstructure of MGs but also provides theoretical support and experimental evidence for exploring MG materials with high strength and high fracture reliability.展开更多
Martensitic transformation plays a pivotal role in strengthening and hardening of steels,yet an accu-rate interatomic potential for a comprehensive description of the martensitic phase formation in Fe-C alloys is lack...Martensitic transformation plays a pivotal role in strengthening and hardening of steels,yet an accu-rate interatomic potential for a comprehensive description of the martensitic phase formation in Fe-C alloys is lacking.Herein,we developed a deep learning-based interatomic potential to perform molecu-lar dynamics(MD)simulations to study the martensitic phase transformation across a range of carbon(C)concentrations.The results revealed that an increased C concentration leads to a suppressed phase boundary movement and a decelerated phase transformation rate.To overcome the timescale limitations inherent in MD simulations,metadynamics sampling was employed to accelerate the simulations of C dif-fusion.We found that C atoms tend to cluster at distances equivalent to the lattice parameter of Fe with the same sublattice occupation,leading to local lattice tetragonality.Such C-ordered structures effectively inhibit dislocation movement and enhance strength.The stress field induced by dislocations facilitates a higher degree of ordering,and the formation of C-ordered structures was identified as a potentially cru-cial strengthening mechanism for martensitic steels.The consistency between our simulation results and reported experimental observations underscores the effectiveness of the developed DP model in simu-lating martensitic phase transformation in Fe-C alloys,providing detailed insights into the mechanisms underlying this process.This work not only advances the understanding of martensitic phase transforma-tions in Fe-C alloys but also establishes a powerful computational framework for designing steels with optimized mechanical properties through the precise control of carbon ordering and dislocation behavior.展开更多
Medium-entropy alloys(MEAs)have garnered significant interest due to their unique mechanical prop-erties,but phase instabilities such as the formation of brittle sigma(σ)phase during annealing pose challenges to thei...Medium-entropy alloys(MEAs)have garnered significant interest due to their unique mechanical prop-erties,but phase instabilities such as the formation of brittle sigma(σ)phase during annealing pose challenges to their practical application.This study investigates the microstructural evolution and me-chanical behavior of an 80%cold-rolled Fe_(45)Co_(35)Cr_(10)V_(10)MEA that was isochronally annealed between 100℃ and 900℃ for 300 s and characterized using hardness indentations,in-situ X-ray diffraction,and thermodynamic calculations,with high-resolution electron microscopy detailing microstructural evo-lution at 625℃,675℃,and 725℃.The results show increases in Vickers hardness between 500℃ and 625℃,attributed to the nucleation of a Cr-and V-rich sigma(σ)phase,primarily at the bcc grain boundaries.Beyond 625℃,the hardness decreased due toσ-phase dissolution,recovery of bcc and fcc phases,bcc→fcc phase reversion,and recrystallization of the reverted fcc phase.Scanning-transmission electron microscopy and transmission Kikuchi diffraction revealed a Kurdjumov-Sachs orientation rela-tionship(OR)at 675℃ and a near Nishiyama-Wassermann OR at 725℃ for bcc-fcc interfaces,whereas bcc-σand fcc-σinterfaces showed no dominant OR.In addition toσphase,two types of bcc phase were identified at 625℃.Type 1 bcc initially retained a near-nominal composition and a disordered crystal structure from deformation-induced bcc martensite but gradually became Fe-enriched and Cr-and V-depleted up to 725℃.In contrast,Type 2 bcc phase was Fe-depleted and Co-enriched at 625℃ but dis-appeared at 675℃,coinciding with the onset of bcc→fcc phase reversion.This phase also exhibited B2-like chemical short-range ordering,with alternating FeCo-rich and CrV-rich domains.This study provides insights into the complex phase transformation occurring between 500℃ and 725℃ in a Fe_(45)Co_(35)Cr_(10)V_(10)MEA,which can be leveraged to design alloys with optimized mechanical properties for practical appli-cations.展开更多
Polar semiconductors,particularly the emerging polar two-dimensional(2D)halide perovskites,have motivated immense interest in diverse photoelectronic devices due to their distinguishing polarizationgenerated photoelec...Polar semiconductors,particularly the emerging polar two-dimensional(2D)halide perovskites,have motivated immense interest in diverse photoelectronic devices due to their distinguishing polarizationgenerated photoelectric effects.However,the constraints on the organic cation's choice are still subject to limitations of polar 2D halide perovskites due to the size of the inorganic pocket between adjacent corner-sharing octahedra.Herein,a mixed spacer cation ordering strategy is employed to assemble a polar 2D halide perovskite NMAMAPb Br_(4)(NMPB,NMA is N-methylbenzene ammonium,MA is methylammonium)with alternating cation in the interlayer space.Driven by the incorporation of a second MA cation,the perovskite layer transformed from a 2D Pb_(7)Br_(24)anionic network with corner-and face-sharing octahedra to a flat 2D PbBr_(4)perovskite networks only with corner-sharing octahedra.In the crystal structure of NMPB,the asymmetric hydrogen-bonding interactions between ordered mixed-spacer cations and 2D perovskite layers give rise to a second harmonic generation response and a large polarization of 1.3μC/cm^(2).More intriguingly,the ordered 2D perovskite networks endow NMPB with excellent self-powered polarization-sensitive detection performance,showing a considerable polarization-related dichroism ratio up to 1.87.The reconstruction of an inorganic framework within a crystal through mixed cation ordering offers a new synthetic tool for templating perovskite lattices with controlled properties,overcoming limitations of conventional cation choice.展开更多
An orderly competition mechanism is used to change unexpected competition into predictable competition so as to reduce access collision during access process.The scheme is realized by learning,queuing,and accessing.Qu...An orderly competition mechanism is used to change unexpected competition into predictable competition so as to reduce access collision during access process.The scheme is realized by learning,queuing,and accessing.Queuing is the key step to reduce random and realize orderly competition.Related parameters leading to access random including the arrival rate,the delay requirements,the number of devices,and so on,are defined as queue factors in this paper.The queue factors are obtained from the improved double deep Q network(DDQN)algorithm which is proposed here by setting asynchronous weights of two target networks.By learning,the queue factors will guide the devices with diverse delay requirements to queue.Then the queued devices start the access process according to their learning optimal access slot and preamble.Different from traditional competition solutions,markov decision process of the orderly competition mechanism has only two states,which remarkably cuts down the back-off rate and reduces the access delay.The simulation results show that the access success rate of this method can be close to 100%before the system capacity approaches the maximum value.展开更多
The two-dimensional kagome lattice serves as a prototypical platform for exploring quantum spin liquids owing to its pronounced geometric frustration.Substantial advancements have been achieved in herbertsmithite and ...The two-dimensional kagome lattice serves as a prototypical platform for exploring quantum spin liquids owing to its pronounced geometric frustration.Substantial advancements have been achieved in herbertsmithite and its structural analogs.These quantum spin liquid candidates exhibit large superexchange interactions yet resist magnetic ordering down to the lowest measurable temperatures,which are typically three or four orders of magnitude below the energy scale of the primary exchange energies.Nevertheless,the existence of unavoidable intrinsic interlayer magnetic impurities leads to persistent debates on their ground states.A breakthrough emerged with the discovery of YCu_(3)(OH)_(6+x)X_(3-x)(X=Cl,Br),a novel material family rigorously verifed to eliminate magnetic impurity interference.This short review highlights critical advances in these materials,emphasizing experimental signatures consistent with a Dirac quantum spin liquid and the observation of a oneninth magnetization plateau and possible quantum oscillations.Local structural characteristics play a crucial role in clarifying the complex emergent quantum phenomena of these materials.Collectively,these fndings establish this material class as a promising platform for investigating quantum spin liquid behavior in two-dimensional kagome lattices.展开更多
L1_(0)-FePt nanoparticles(NPs)are urgently anticipated because of their promising applications.However,the preparation of the NPs with both of high ordering degree and super-fine size is still a challenge.Inspired by ...L1_(0)-FePt nanoparticles(NPs)are urgently anticipated because of their promising applications.However,the preparation of the NPs with both of high ordering degree and super-fine size is still a challenge.Inspired by recent studies on the effect of vacancy defects on structural ordering,we proposed an intentional vacancy defect design strategy for directly synthesizing highly ordered FePt NPs.In the present work,we used the first-principle calculations to investigate the influence of doping typical elements(Cu,Ag,and Pb)on the vacancy formation energy(E_(vac))of FePt NPs.The vacancy defects were effectively formed by introducing elements of larger atomic radii and higher propensity for segregation into the FePt lattice,facilitating the diffusion of Fe and Pt atoms.The Pb doping showed remarkable efficacy in promoting the ordering transition.Experimentally,wet-chemical synthesis confirmed the success of the proposed strategy in achieving highly ordered L1_(0)-FePt NPs with exceptional magnetic properties and super-fine size(ordering degree of 0.896,impressive coercivity of 21.74 kOe,and small particle size of 9.02 nm).Additionally,we have deduced a diffusion model elucidating the formation process of the ordered FePt NPs,focusing on the migration of Pb atoms from the center to the surface of the particles.This migration is demonstrated to generate more vacancies and promote the transition to the ordered L1_(0)-FePt phase.The findings of this research offer valuable insights into synthesizing highly ordered and ultrafine L1_(0)-type nanomaterials.展开更多
1.Introduction Multi-principal element alloys(MPEAs),with compositions in the central region of the multicomponent phase diagram,have been dubbed"high-entropy alloys"(HEAs)in recent years[1-11].A more genera...1.Introduction Multi-principal element alloys(MPEAs),with compositions in the central region of the multicomponent phase diagram,have been dubbed"high-entropy alloys"(HEAs)in recent years[1-11].A more general term currently accepted by the community for these MPEAs is complex concentrated alloys or compositionally complex alloys(CCAs)[12].These alloys are usually based on single-phase multi-principal element solid solutions,with no need or possibility to distinguish which species constitutes the solvent and which ones are solutes.This Viewpoint and Perspective article focuses on a salient feature in the internal structure of MPEAs,different from traditional metals and solvent-(dilute)solute solutions.Specifically,the unusual trait to be highlighted for these heavily concentrated solutions is their inherent chemical inhomogeneity on the nanoscale,in terms of the high propensity for compositional fluctuation and local chemical order.展开更多
In order to calculate the multipoles in real materials with considerable intersite Coulomb interaction V,we develop a self-consistent program which starts from the frst-principles calculations to solve the tight-bindi...In order to calculate the multipoles in real materials with considerable intersite Coulomb interaction V,we develop a self-consistent program which starts from the frst-principles calculations to solve the tight-binding Hamiltonian including onsite Coulomb repulsion U,V,and spin-orbital couplingλ.The program is applied to Ba_(2)MgReO_(6)to fgure out the mechanism of structural instability and magnetic ordering.A comprehensive quadrupole phase diagram versus U and V withλ=0.28 eV is calculated.Our results demonstrate that the easy-plane anisotropy and the intersite Coulomb repulsion V must be considered to remove the orbital frustration.The increase of V to>20 meV would arrange quadrupole Q_(x^(2)-y^(2))antiparallelly,accompanied by small parallel Q_(3z)^(2)-r^(2),and stabilize Ba_(2)MgReO_(6)into the body-centered tetragonal structure.Such antiparallel Q_(x^(2)-y^(2))provides a new mechanism for the Dzyaloshinskii-Moriya interaction and gives rise to the canted antiferromagnetic(CAF)state along the[110]axis.Moreover,sizable octupoles such as O_(21)^(31),O_(21)^(33),O_(21)^(34)and O_(21)^(36)are discovered for the frst time in the CAF state.Our study not only provides a comprehensive understanding of the experimental results in Ba_(2)MgReO_(6),but also serves as a general and useful tool for the study of multipole physics in 5d compounds.展开更多
The ground-state magnetic ordering of uranium mononitride(UN)remains a contentious topic due to the unexpected lack of crystallographic distortion in the traditionally accepted 1k antiferromagnetic(AFM)state.This disc...The ground-state magnetic ordering of uranium mononitride(UN)remains a contentious topic due to the unexpected lack of crystallographic distortion in the traditionally accepted 1k antiferromagnetic(AFM)state.This discrepancy casts doubt on the validity of the 1k magnetic ordering of UN.Here,we investigate the crystal structure,high-pressure phase transitions,and dynamical and mechanical properties of UN in its 1k and 3k AFM ground states using density functional theory(DFT).Our results reveal that the undistorted 3k AFM state of Fm3m within the DFT+U+SOC scheme is more consistent with experimental results.The Hubbard U and spin-orbit coupling(SOC)are critical for accurately capturing the crystal structure,high-pressure structural phase transition,and dynamical properties of UN.In addition,we have identified a new high-pressure magnetic phase transition from the nonmagnetic(NM)phase of R3m to the P63/mmc AFM state.Electronic structure analysis reveals that the magnetic ordering in the ground state is primarily linked to variations in partial 5f orbital distributions.Our calculations provide valuable theoretical insights into the complex magnetic structures of a typical strongly correlated uranium-based compound.Moreover,they provide a framework for understanding other similar actinide systems.展开更多
The short-range ordering(SRO)structure has been considered as a toughening method to improve the mechanical properties of high-entropy alloys(HEAs).However,the strengthening mechanism of the SRO structures on the HEAs...The short-range ordering(SRO)structure has been considered as a toughening method to improve the mechanical properties of high-entropy alloys(HEAs).However,the strengthening mechanism of the SRO structures on the HEAs still needs to be further revealed.Here,the effect of element distribution,Al content,crack orientation,temperature,and strain rate on the crack propagation behavior of the AlxFeCoCrNi HEAs are investigated using Monte Carlo(MC)/molecular dynamics(MD)simulation methods.Two HEA models are considered,one with five elements randomly distributed in the alloys,i.e.RSS_HEAs,and the other presenting SRO structure in the alloys,namely SRO_HEAs.The results show that Al atoms play a decisive role in the SRO degree of the HEA.The higher the Al content,the greater the SRO degree of the HEA,and the stronger the resistance of the SRO structure to crack propagation in the alloys.The results indicate that the reinforcement effect of the SRO structure in the model with the(111)[110]crack is more significant than that with the(111)[110]crack.The results show that the crack length of the alloys at maximum strain does not monotonically increase with temperature,but rather exhibits a turning point at the temperature of 400 K.When the temperature is below 400 K,the crack length of the alloys increases with the increase of temperature,while above 400 K,the opposite trend appears.In addition,the results indicate that the crack length of the alloys decreases with increasing strain rate under the same strain.展开更多
文摘A series of TiAl+Nb alloys with various Nb contents has been employed to explore phase relationship and the evolution of microstructure.A new ordered γ derivative (γ1) has been observed in the alloy containing 20 at% Nb.The additional diffraction spots added to the diffraction pattern of L10 (TiAl) structure have been found in the alloy containing Nb up to 11 at% in terms of further ordering.The transformation from L10 (TiAl) structure to the further ordering phase,γ1,is a continuous ordering process with the substitution of Nb atoms for Ti atoms in alloys with over-stoichiometric Al content of TiAl.The possible transformtion characterzation has been discussed.
基金supported by the Naitonal Natural Science Foundation of China(71701038)China Ministry of Education Humanities and Social Sciences Research Youth Fund Project(16YJC630174)+2 种基金the Natural Science Foundation of Hebei Province(G2019501074)the Fundamental Research Funds for the Central Universities(N2123019)the Postgraduate Funding Project of PLA(JY2020B085).
文摘This paper presents a joint optimization policy of preventive maintenance(PM)and spare ordering for single-unit systems,which deteriorate subject to the delay-time concept with three deterioration stages.PM activities that combine a non-periodic inspection scheme with age-replacement are implemented.When the system is detected to be in the minor defective stage by an inspection for the first time,place an order and shorten the inspection interval.If the system has deteriorated to a severe defective stage,it is either repaired imperfectly or replaced by a new spare.However,an immediate replacement is required once the system fails,the maximal number of imperfect maintenance(IPM)is satisfied or its age reaches to a pre-specified threshold.In consideration of the spare’s availability as needed,there are three types of decisions,i.e.,an immediate or a delayed replacement by a regular ordered spare,an immediate replacement by an expedited ordered spare with a relative higher cost.Then,some mutually independent and exclusive renewal events at the end of a renewal cycle are discussed,and the optimization model of such a joint policy is further developed by minimizing the long-run expected cost rate to find the optimal inspection and age-replacement intervals,and the maximum number of IPM.A Monte-Carlo based integration method is also designed to solve the proposed model.Finally,a numerical example is given to illustrate the proposed joint optimization policy and the performance of the Monte-Carlo based integration method.
基金This project was financially supported by the National Natural Science Foundation Key Project of China (No. 19934003)the National Key Fundamental Research Project of China (No. 001CB610604)+1 种基金the Natural Science Research Project of the Education Department of Anhui Province (No. 2004KJ331)the Natural Science Research Project of Colleges and Universities of Anhui Province, China (No. 2005KJ234)
文摘The perovskite manganite sample La0.3Ca0.7Mn1-xWxO3 （x = 0.08, 0.12） was prepared by the solid-state reaction method. The effect of W doping on the Mn site to La0.3Ca0.7MnO3 charge ordering phase and the changing process of magnetic properties were studied through the measurement of the M-T curve, M-H curves, and ESR curves of the sample. The results showed that when x = 0.08, the charge ordering （CO） phase exists in the system, the transition temperature Tco= 275 K, and the system exhibits PM when T 〉 275 K. The system transforms from spin-disordering paramagnetism to spin-ordering antiferromagnetism in the charge ordering state with the temperature decreasing from 275 K to 230 K. The long-range antiferromagnetism forms and AFM/CO states coexist between 230 K and 5 K. There is a little ferromagnetic component in the AFM/CO background in a low temperature range. When x = 0.12, the CO phase in the system has almost melted completely. There is a little remnant of the CO phase below 150 K. The system exhibits paramagnetism when T 〉 150 K and transforms from paramagnetism to ferromagnetism when T〈 150 K.
基金Supported by National Natural Science Foundation of China(Grant No.11072192)Shaanxi Provincial Industrial Technology Research Projects of China(Grant No.2015GY118)
文摘The beer game model is a typical paradigm used to study complex dynamics behaviours in production–distribution systems. The model, however, does not accord with current practical supply chain system models in discrete?type manufacturing industry, which are generally composed of retailers, distributors, manufacturers with internal sup?ply chain, and suppliers. To describe how ordering policies influence the complex dynamics behaviour modes and operating cost in a general discrete?type manufacturing industry supply chain system, a high dimension piecewise?linear dynamics model is built for the supply chain system. Five kinds of ordering policy combination are considered. The distribution of both the largest Lyapunov exponent of e ective inventory and average operating cost per cycle is obtained by simulation in a policy space. The simulation shows that for the general discrete?type manufacturing industry supply chain system, the upper chaotic corners emerge besides the lower chaotic corners in the policy space expressing the distribution of system behaviour mode, and that the ordering policies at each supply chain node as well as their combination have very significant e ect on the topology of the distribution of both system behaviour mode and operating cost in the policy space. We find that chaos is not always corresponding to high cost, and the "chaos amplification" is not completely relevant to the "cost amplification".
基金supported by National Natural Science Foundation of China,China(No.51901117,51801116)Youth Innovation and Technology Support Program of Shandong Provincial Colleges and Universities,China(No.2020KJA002)+2 种基金Youth Fund of Shandong Academy of Sciences,China(2020QN0021)Innovation Pilot Project for Fusion of Science,Education and Industry(International Cooperation)from Qilu University of Technology(Shandong Academy of Sciences),China(No.2020KJC-GH03)Several Policies on Promoting Collaborative Innovation and Industrialization of Achievements in Universities and Research Institutes,China(No.2019GXRC030)。
文摘In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics simulation.In liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local structure.For Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid structure.Due to the coexistence of Y and Zn,the strong attractive interaction is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from Zn.What is more,the distribution of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn alloys.These results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level.
基金financially supported by the State Administration for Market Regulation,China(No.2021MK050)the National Natural Science Foundation of China(Nos.50971043,51171046,21973012)+3 种基金the Key Research and Development Program of China(Nos.2022YFB3807200,CISRI-21T62450ZD)the Natural Science Foundation of Fujian Province,China(Nos.2021J01590,2020J01351,2018J01754,2020J01474)the Student Research and Training Program(SRTP) of Fuzhou University,China(No.29320)Fujian Provincial Department of Science & Technology,China(No.2021H6011)。
文摘In order to understand the influence of ordering behaviors on the thermodynamic and mechanical properties of multi-principal element alloys(MPEAs),the temperature-dependent thermodynamic properties and mechanical properties of FCC_CoNiV MPEAs were comparatively predicted,where the alloys were modeled as the ordered configurations based on our previously predicted site occupying fractions(SOFs),as well as disordered configuration based on traditional special quasi-random structure(SQS).The ordering behavior not only improves the thermodynamic stability of the structure,but also increases the elastic properties and Vickers hardness.For example,at 973 K,the predicted bulk modulus(B),shear modulus(G),Young’s modulus(E),and Vickers hardness(HV)of FCC_CoNiV MPEA based on SOFs configuration are 187.82,79.03,207.93,and 7.58 GPa,respectively,while the corresponded data are 172.58,57.45,155.14,and 4.64 GPa for the SQS configuration,respectively.The Vickers hardness predicted based on SOFs agrees considerably well with the available experimental data,while it is underestimated obviously based on SQS.
基金supported in part by the National Natural Science Foundation of China(62173255,62188101)Shenzhen Key Laboratory of Control Theory and Intelligent Systems(ZDSYS20220330161800001)
文摘Dear Editor,In this letter,a constrained networked predictive control strategy is proposed for the optimal control problem of complex nonlinear highorder fully actuated(HOFA)systems with noises.The method can effectively deal with nonlinearities,constraints,and noises in the system,optimize the performance metric,and present an upper bound on the stable output of the system.
基金supported by the National Natural Science Foundation(22279036)the Innovation and Talent Recruitment Base of New Energy Chemistry and Device(B21003).
文摘Alloying transition metals with Pt is an effective strategy for optimizing Pt-based catalysts toward the oxygen reduction reaction(ORR).Atomic ordered intermetallic compounds(IMC)provide unique electronic and geometrical effects as well as stronger intermetallic interactions due to the ordered arrangement of metal atoms,thus exhibiting superior electrocata-lytic activity and durability.However,quantitatively analyzing the ordering degree of IMC and exploring the correlation between the ordering degree and ORR activity remains extremely challenging.Herein,a series of ternary Pt_(2)NiCo interme-tallic catalysts(o-Pt_(2)NiCo)with different ordering degree were synthesized by annealing temperature modulation.Among them,the o-Pt_(2)NiCo which annealed at 800℃for two hours exhibits the highest ordering degree and the optimal ORR ac-tivity,which the mass activity of o-Pt_(2)NiCo is 1.8 times and 2.8 times higher than that of disordered Pt_(2)NiCo alloy and Pt/C.Furthermore,the o-Pt_(2)NiCo still maintains 70.8%mass activity after 30,000 potential cycles.Additionally,the ORR activity test results for Pt_(2)NiCo IMC with different ordering degree also provide a positive correlation between the ordering degree and ORR activity.This work provides a prospective design direction for ternary Pt-based electrocatalysts.
基金Supported by the National Natural Science Foundation of China(12061048)NSF of Jiangxi Province(20232BAB201026,20232BAB201018)。
文摘In this paper,a new technique is introduced to construct higher-order iterative methods for solving nonlinear systems.The order of convergence of some iterative methods can be improved by three at the cost of introducing only one additional evaluation of the function in each step.Furthermore,some new efficient methods with a higher-order of convergence are obtained by using only a single matrix inversion in each iteration.Analyses of convergence properties and computational efficiency of these new methods are made and testified by several numerical problems.By comparison,the new schemes are more efficient than the corresponding existing ones,particularly for large problem sizes.
基金financially supported by the National Natural Science Foundation of China(Nos.52071118,52371025,and 52171154)supported by the China Scholarship Council(CSC,No.202206120120)for visiting Ph.D.student program at Seoul National University.
文摘This study systematically investigates the influences of annealing treatment on the energy state,microstructure and macroscopic mechanical behaviors of metallic glasses(MGs).By reducing the energy state,the annealing process significantly enhances the structural ordering degree and uniformity of MGs,thereby improving their overall mechanical reliability.Specifically,annealing promotes the formation of localized icosahedral short-range order,a structural signature that contributes to improved nanohardness and tensile strength.Furthermore,the release and redistribution of internal stress during annealing further optimize the internal stress state,significantly enhancing the fracture resistance and achieving reliable mechanical performance.This study not only elucidates the regulatory mechanisms of annealing on the microstructure of MGs but also provides theoretical support and experimental evidence for exploring MG materials with high strength and high fracture reliability.
基金the National Key Research and Devel-opment Program of China(No.2022YFB3709000)the National Natural Science Foundation of China(Nos.52101019,52122408,52071023,52474397)+1 种基金support from the Fundamental Research Funds for the Central Universities(University of Science and Technology Beijing,No.FRF-TP-2021-04C1,and 06500135)supported by USTB MatCom of Beijing Advanced Innovation Center for Materials Genome Engineering.
文摘Martensitic transformation plays a pivotal role in strengthening and hardening of steels,yet an accu-rate interatomic potential for a comprehensive description of the martensitic phase formation in Fe-C alloys is lacking.Herein,we developed a deep learning-based interatomic potential to perform molecu-lar dynamics(MD)simulations to study the martensitic phase transformation across a range of carbon(C)concentrations.The results revealed that an increased C concentration leads to a suppressed phase boundary movement and a decelerated phase transformation rate.To overcome the timescale limitations inherent in MD simulations,metadynamics sampling was employed to accelerate the simulations of C dif-fusion.We found that C atoms tend to cluster at distances equivalent to the lattice parameter of Fe with the same sublattice occupation,leading to local lattice tetragonality.Such C-ordered structures effectively inhibit dislocation movement and enhance strength.The stress field induced by dislocations facilitates a higher degree of ordering,and the formation of C-ordered structures was identified as a potentially cru-cial strengthening mechanism for martensitic steels.The consistency between our simulation results and reported experimental observations underscores the effectiveness of the developed DP model in simu-lating martensitic phase transformation in Fe-C alloys,providing detailed insights into the mechanisms underlying this process.This work not only advances the understanding of martensitic phase transforma-tions in Fe-C alloys but also establishes a powerful computational framework for designing steels with optimized mechanical properties through the precise control of carbon ordering and dislocation behavior.
基金provided by the Nano and Material Technology Development Program(RS-2023-00281246)via the National Research Foundation of Korea,Ministry of Science and ICT,KoreaThe JEOL JSM-7001F,JEOL ARM 200F,and FEI Helios G3 CX FIB-SEM were funded by the Australian Research Council-Linkage,Infrastructure,Equipment and Facilities GrantsNos.LE0882613,LE120100104 andLE160100063,respectivelyThe Oxford Instruments 80 mm2 X-Max EDS detector and the JEOL JEM F200 were funded via the 2012 UOW Major Equipment Grant and 2019 UOW Equipment Replacement Grant schemes,respectively.
文摘Medium-entropy alloys(MEAs)have garnered significant interest due to their unique mechanical prop-erties,but phase instabilities such as the formation of brittle sigma(σ)phase during annealing pose challenges to their practical application.This study investigates the microstructural evolution and me-chanical behavior of an 80%cold-rolled Fe_(45)Co_(35)Cr_(10)V_(10)MEA that was isochronally annealed between 100℃ and 900℃ for 300 s and characterized using hardness indentations,in-situ X-ray diffraction,and thermodynamic calculations,with high-resolution electron microscopy detailing microstructural evo-lution at 625℃,675℃,and 725℃.The results show increases in Vickers hardness between 500℃ and 625℃,attributed to the nucleation of a Cr-and V-rich sigma(σ)phase,primarily at the bcc grain boundaries.Beyond 625℃,the hardness decreased due toσ-phase dissolution,recovery of bcc and fcc phases,bcc→fcc phase reversion,and recrystallization of the reverted fcc phase.Scanning-transmission electron microscopy and transmission Kikuchi diffraction revealed a Kurdjumov-Sachs orientation rela-tionship(OR)at 675℃ and a near Nishiyama-Wassermann OR at 725℃ for bcc-fcc interfaces,whereas bcc-σand fcc-σinterfaces showed no dominant OR.In addition toσphase,two types of bcc phase were identified at 625℃.Type 1 bcc initially retained a near-nominal composition and a disordered crystal structure from deformation-induced bcc martensite but gradually became Fe-enriched and Cr-and V-depleted up to 725℃.In contrast,Type 2 bcc phase was Fe-depleted and Co-enriched at 625℃ but dis-appeared at 675℃,coinciding with the onset of bcc→fcc phase reversion.This phase also exhibited B2-like chemical short-range ordering,with alternating FeCo-rich and CrV-rich domains.This study provides insights into the complex phase transformation occurring between 500℃ and 725℃ in a Fe_(45)Co_(35)Cr_(10)V_(10)MEA,which can be leveraged to design alloys with optimized mechanical properties for practical appli-cations.
基金supported by the National Natural Science Foundation of China(Nos.22193042,22125110,22075285,52473283,21921001,U21A2069)the Key Research Program of Frontier Sciences of the Chinese Academy of Sciences(No.ZDBS-LY-SLH024)the Youth Innovation Promotion of Chinese Academy of Sciences(No.2020307)。
文摘Polar semiconductors,particularly the emerging polar two-dimensional(2D)halide perovskites,have motivated immense interest in diverse photoelectronic devices due to their distinguishing polarizationgenerated photoelectric effects.However,the constraints on the organic cation's choice are still subject to limitations of polar 2D halide perovskites due to the size of the inorganic pocket between adjacent corner-sharing octahedra.Herein,a mixed spacer cation ordering strategy is employed to assemble a polar 2D halide perovskite NMAMAPb Br_(4)(NMPB,NMA is N-methylbenzene ammonium,MA is methylammonium)with alternating cation in the interlayer space.Driven by the incorporation of a second MA cation,the perovskite layer transformed from a 2D Pb_(7)Br_(24)anionic network with corner-and face-sharing octahedra to a flat 2D PbBr_(4)perovskite networks only with corner-sharing octahedra.In the crystal structure of NMPB,the asymmetric hydrogen-bonding interactions between ordered mixed-spacer cations and 2D perovskite layers give rise to a second harmonic generation response and a large polarization of 1.3μC/cm^(2).More intriguingly,the ordered 2D perovskite networks endow NMPB with excellent self-powered polarization-sensitive detection performance,showing a considerable polarization-related dichroism ratio up to 1.87.The reconstruction of an inorganic framework within a crystal through mixed cation ordering offers a new synthetic tool for templating perovskite lattices with controlled properties,overcoming limitations of conventional cation choice.
基金supported by Key Technologies R&D Program of Jiangsu(Prospective and Key Technologies for Industry)(BE2022067,BE2022067-1 and BE2022067-2)National Natural Science Foundation of China(No.61771255)Provincial and Ministerial Key Laboratory Open Project under Grant No.20190904.
文摘An orderly competition mechanism is used to change unexpected competition into predictable competition so as to reduce access collision during access process.The scheme is realized by learning,queuing,and accessing.Queuing is the key step to reduce random and realize orderly competition.Related parameters leading to access random including the arrival rate,the delay requirements,the number of devices,and so on,are defined as queue factors in this paper.The queue factors are obtained from the improved double deep Q network(DDQN)algorithm which is proposed here by setting asynchronous weights of two target networks.By learning,the queue factors will guide the devices with diverse delay requirements to queue.Then the queued devices start the access process according to their learning optimal access slot and preamble.Different from traditional competition solutions,markov decision process of the orderly competition mechanism has only two states,which remarkably cuts down the back-off rate and reduces the access delay.The simulation results show that the access success rate of this method can be close to 100%before the system capacity approaches the maximum value.
文摘The two-dimensional kagome lattice serves as a prototypical platform for exploring quantum spin liquids owing to its pronounced geometric frustration.Substantial advancements have been achieved in herbertsmithite and its structural analogs.These quantum spin liquid candidates exhibit large superexchange interactions yet resist magnetic ordering down to the lowest measurable temperatures,which are typically three or four orders of magnitude below the energy scale of the primary exchange energies.Nevertheless,the existence of unavoidable intrinsic interlayer magnetic impurities leads to persistent debates on their ground states.A breakthrough emerged with the discovery of YCu_(3)(OH)_(6+x)X_(3-x)(X=Cl,Br),a novel material family rigorously verifed to eliminate magnetic impurity interference.This short review highlights critical advances in these materials,emphasizing experimental signatures consistent with a Dirac quantum spin liquid and the observation of a oneninth magnetization plateau and possible quantum oscillations.Local structural characteristics play a crucial role in clarifying the complex emergent quantum phenomena of these materials.Collectively,these fndings establish this material class as a promising platform for investigating quantum spin liquid behavior in two-dimensional kagome lattices.
基金supported by the National Key Research and Development Program of China(Nos.2020YFA0907300 and 2021YFB3501404)the National Natural Science Foundation of China(Nos.52301234,52371179,and 52071070)+1 种基金the Doctoral Start-up Foundation of Liaoning Province(No.2023-BS-059)the Fundamental Research Funds for the Central Universities(No.N2309002).
文摘L1_(0)-FePt nanoparticles(NPs)are urgently anticipated because of their promising applications.However,the preparation of the NPs with both of high ordering degree and super-fine size is still a challenge.Inspired by recent studies on the effect of vacancy defects on structural ordering,we proposed an intentional vacancy defect design strategy for directly synthesizing highly ordered FePt NPs.In the present work,we used the first-principle calculations to investigate the influence of doping typical elements(Cu,Ag,and Pb)on the vacancy formation energy(E_(vac))of FePt NPs.The vacancy defects were effectively formed by introducing elements of larger atomic radii and higher propensity for segregation into the FePt lattice,facilitating the diffusion of Fe and Pt atoms.The Pb doping showed remarkable efficacy in promoting the ordering transition.Experimentally,wet-chemical synthesis confirmed the success of the proposed strategy in achieving highly ordered L1_(0)-FePt NPs with exceptional magnetic properties and super-fine size(ordering degree of 0.896,impressive coercivity of 21.74 kOe,and small particle size of 9.02 nm).Additionally,we have deduced a diffusion model elucidating the formation process of the ordered FePt NPs,focusing on the migration of Pb atoms from the center to the surface of the particles.This migration is demonstrated to generate more vacancies and promote the transition to the ordered L1_(0)-FePt phase.The findings of this research offer valuable insights into synthesizing highly ordered and ultrafine L1_(0)-type nanomaterials.
基金supported by the National Natural Science Foundation of China(Grant No.52231001)Evan Ma and Jun Ding also acknowledge XJTU for hosting their research at the Center for Alloy Innovation and Design(CAID).
文摘1.Introduction Multi-principal element alloys(MPEAs),with compositions in the central region of the multicomponent phase diagram,have been dubbed"high-entropy alloys"(HEAs)in recent years[1-11].A more general term currently accepted by the community for these MPEAs is complex concentrated alloys or compositionally complex alloys(CCAs)[12].These alloys are usually based on single-phase multi-principal element solid solutions,with no need or possibility to distinguish which species constitutes the solvent and which ones are solutes.This Viewpoint and Perspective article focuses on a salient feature in the internal structure of MPEAs,different from traditional metals and solvent-(dilute)solute solutions.Specifically,the unusual trait to be highlighted for these heavily concentrated solutions is their inherent chemical inhomogeneity on the nanoscale,in terms of the high propensity for compositional fluctuation and local chemical order.
基金was supported by the National Key Research and Development Program of China(Grant Nos.2024YFA1611200 and 2018YFA0307000)the National Natural Science Foundation of China(Grant Nos.12274154 and 12404182)。
文摘In order to calculate the multipoles in real materials with considerable intersite Coulomb interaction V,we develop a self-consistent program which starts from the frst-principles calculations to solve the tight-binding Hamiltonian including onsite Coulomb repulsion U,V,and spin-orbital couplingλ.The program is applied to Ba_(2)MgReO_(6)to fgure out the mechanism of structural instability and magnetic ordering.A comprehensive quadrupole phase diagram versus U and V withλ=0.28 eV is calculated.Our results demonstrate that the easy-plane anisotropy and the intersite Coulomb repulsion V must be considered to remove the orbital frustration.The increase of V to>20 meV would arrange quadrupole Q_(x^(2)-y^(2))antiparallelly,accompanied by small parallel Q_(3z)^(2)-r^(2),and stabilize Ba_(2)MgReO_(6)into the body-centered tetragonal structure.Such antiparallel Q_(x^(2)-y^(2))provides a new mechanism for the Dzyaloshinskii-Moriya interaction and gives rise to the canted antiferromagnetic(CAF)state along the[110]axis.Moreover,sizable octupoles such as O_(21)^(31),O_(21)^(33),O_(21)^(34)and O_(21)^(36)are discovered for the frst time in the CAF state.Our study not only provides a comprehensive understanding of the experimental results in Ba_(2)MgReO_(6),but also serves as a general and useful tool for the study of multipole physics in 5d compounds.
基金supported by the National Natural Science Foundation of China(Grant Nos.12204482 and U2430211)the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi(Grant No.2020L0537)the Fundamental Research Program of Shanxi Province(Grant No.202103021224250)the Hainan Provincial Natural Science Foundation of China(Grant No.225MS076).
文摘The ground-state magnetic ordering of uranium mononitride(UN)remains a contentious topic due to the unexpected lack of crystallographic distortion in the traditionally accepted 1k antiferromagnetic(AFM)state.This discrepancy casts doubt on the validity of the 1k magnetic ordering of UN.Here,we investigate the crystal structure,high-pressure phase transitions,and dynamical and mechanical properties of UN in its 1k and 3k AFM ground states using density functional theory(DFT).Our results reveal that the undistorted 3k AFM state of Fm3m within the DFT+U+SOC scheme is more consistent with experimental results.The Hubbard U and spin-orbit coupling(SOC)are critical for accurately capturing the crystal structure,high-pressure structural phase transition,and dynamical properties of UN.In addition,we have identified a new high-pressure magnetic phase transition from the nonmagnetic(NM)phase of R3m to the P63/mmc AFM state.Electronic structure analysis reveals that the magnetic ordering in the ground state is primarily linked to variations in partial 5f orbital distributions.Our calculations provide valuable theoretical insights into the complex magnetic structures of a typical strongly correlated uranium-based compound.Moreover,they provide a framework for understanding other similar actinide systems.
基金financially supported by the Natural Science Foundation of Shaanxi Province(No.2021JZ-53)the Program for Graduate Innovation Fund of Xi'an Shiyou University(No.YCS22213146).
文摘The short-range ordering(SRO)structure has been considered as a toughening method to improve the mechanical properties of high-entropy alloys(HEAs).However,the strengthening mechanism of the SRO structures on the HEAs still needs to be further revealed.Here,the effect of element distribution,Al content,crack orientation,temperature,and strain rate on the crack propagation behavior of the AlxFeCoCrNi HEAs are investigated using Monte Carlo(MC)/molecular dynamics(MD)simulation methods.Two HEA models are considered,one with five elements randomly distributed in the alloys,i.e.RSS_HEAs,and the other presenting SRO structure in the alloys,namely SRO_HEAs.The results show that Al atoms play a decisive role in the SRO degree of the HEA.The higher the Al content,the greater the SRO degree of the HEA,and the stronger the resistance of the SRO structure to crack propagation in the alloys.The results indicate that the reinforcement effect of the SRO structure in the model with the(111)[110]crack is more significant than that with the(111)[110]crack.The results show that the crack length of the alloys at maximum strain does not monotonically increase with temperature,but rather exhibits a turning point at the temperature of 400 K.When the temperature is below 400 K,the crack length of the alloys increases with the increase of temperature,while above 400 K,the opposite trend appears.In addition,the results indicate that the crack length of the alloys decreases with increasing strain rate under the same strain.
