Chemical short-range order(SRO),a phenomenon at the atomic scale resulting from inhomogeneities in the local chemical environment,is usually studied using machine learning force field-based molecular dynamics simulati...Chemical short-range order(SRO),a phenomenon at the atomic scale resulting from inhomogeneities in the local chemical environment,is usually studied using machine learning force field-based molecular dynamics simulations due to the limitations of experimental methods.To promote the reliable application of machine potentials in high-entropy alloy simulations,first,this work uses NEP models trained on two different datasets to predict the SRO coefficients of NbMoTaW.The results show that within the same machine learning framework,there are significant differences in the prediction of SRO coefficients for the Nb-Nb atomic pair.Subsequently,this work predicts the SRO coefficients of NbMoTaW using the NEP model and the SNAP model,both of which are trained on the same dataset.The results reveal significant discrepancies in SRO predictions for like-element pairs(e.g.,Nb-Nb and W-W)between the two potentials,despite the identical training data.The findings of this study indicate that discrepancies in the prediction results of SRO coefficients can arise from either the same machine learning framework trained on different datasets or different learning frameworks trained on the same dataset.This reflects possible incompleteness in the current training set's coverage of local chemical environments at the atomic scale.Future research should establish unified evaluation standards to assess the capability of training sets to accurately describe complex atomic-scale behaviors such as SRO.展开更多
Multiple principal element alloys(MPEAs),also known as high-entropy alloys,have attracted significant attention because of their exceptional mechanical and thermal properties.A critical factor influencing these proper...Multiple principal element alloys(MPEAs),also known as high-entropy alloys,have attracted significant attention because of their exceptional mechanical and thermal properties.A critical factor influencing these properties is suggested to be the presence of chemical short-range order(SRO),characterized by specific atomic arrangements occurring more frequently than in a random distribution.Despite extensive efforts to elucidate SRO,particularly in face-centered cubic(fcc)3d transition metal-based MPEAs,several key aspects remain under debate:the conditions under which SRO forms,the reliability of characterization methods for detecting SRO,and its quantitative impact on mechanical performance.This review summarizes the challenges and unresolved issues in this emerging field,drawing comparisons with well-established research on SRO in binary alloys over the past few decades.Through this cross-system comparison,we aim to provide new insights into SRO from a comprehensive perspective.展开更多
Chemical short-range orders(CSROs),as the built-in sub-nanoscale entities in a high-/medium-entropy alloy(H/MEA),have aroused an ever-increasing interest.With multi-principal elements in an H/MEA to form a complex con...Chemical short-range orders(CSROs),as the built-in sub-nanoscale entities in a high-/medium-entropy alloy(H/MEA),have aroused an ever-increasing interest.With multi-principal elements in an H/MEA to form a complex concentrated solution,a variety of sub-systems of species exist to induce the metastable ordered compounds as candidates for ultimate CSROs.The issues remain pending on the origin of CSROs as to how to judge if CSRO will form in an H/MEA and particularly,what kind of CSROs would be stably produced if there were multiple possibilities.Here,the first-principles method,along with the proposed local formation energy calculation in allusion to the atomic-scale chemical heterogeneities,is used to predict the CSRO formation based on the mechanical stability,thermodynamic formation energy,and electronic characteristics.The simulations are detailed in an equiatomic ternary VCoNi MEA with three kinds of potential compounds,i.e.,L1_(1),L1_(2),and B2,in the face-centered cubic matrix.It turns out that L1_(1)is stable but hard to grow up so as to become the final CSRO.L1_(1)is further predicted as CSROs in CrCoNi,but unable to form in FeCoNi and CrMnFeCoNi alloys.These predictions are consistent with the experimental observations.Our findings shed light on understanding the formation of CSROs.This method is applicable to other H/MEAs to design and tailor CSROs by tuning chemical species/contents and thermal processing for high performance.展开更多
The short-range order(SRO)in multi-principal element alloys(MPEAs)is an intriguing topic in advanced alloy research.The crucial question related to this topic lies in the effect of the local chemical fluctu-ations on ...The short-range order(SRO)in multi-principal element alloys(MPEAs)is an intriguing topic in advanced alloy research.The crucial question related to this topic lies in the effect of the local chemical fluctu-ations on the deformation behavior of MPEAs.In this study,the large-scale molecular dynamics(MD)simulation is used to investigate the dislocation glide behavior and mechanical performance of CoCrNi medium-entropy alloy(MEA)with respect to the SRO and lattice distortion(LD)effects.The slip plane softening and dislocation glide competition are found in the models with SRO.The change of energy barrier caused by SRO degeneration is the dominant reason for the slip plane softening,while the combi-nation of dislocation pinning and slip plane softening leads to the dislocation glide competition,which is the primary mechanism for the shear localization in the CoCrNi MEA with SRO.Moreover,the dislocation glide competition compensates for the strength loss induced by slip plane softening.The results provide a new proposition for the conflicting simulation and experimental results on the topic of the SRO effect in MPEAs.展开更多
In this letter,we briefly summarize experimental and theoretical findings of fo rmation and characterization of short-range orderings(SROs)as well as their effects on the defo rmation behavior of high-entropy alloys(H...In this letter,we briefly summarize experimental and theoretical findings of fo rmation and characterization of short-range orderings(SROs)as well as their effects on the defo rmation behavior of high-entropy alloys(HEAs).We show that existence of SROs is a common yet key structural feature of HEAs,and tuning the degree of SROs is an effective way for optimizing mechanical properties of HEAs.In additional,the challenges concerning about formation mechanism and characterization of SROs in HEAs are discussed,and future research activities in this regard are also proposed.展开更多
High(or medium)-entropy alloys(H/MEAs)are complex concentrated solid solutions prone to develop the chemical short-range orders(CSROs),as an indispensable structural constituent to make H/MEAs essentially different fr...High(or medium)-entropy alloys(H/MEAs)are complex concentrated solid solutions prone to develop the chemical short-range orders(CSROs),as an indispensable structural constituent to make H/MEAs essentially different from the traditional alloys.The CSROs are predicted to play roles in dislocation behaviors and mechanical properties.So far,the image of CSROs is built up by the theoretical modeling and computational simulations in terms of the conventional concept,i.e.,the preference/avoidance of elemental species to satisfy the short-ranged ordering in the first and the next couple of nearest-neighbor atomic shells.In these simulated CSROs,however,the structural image is missing on the atomic scale,even though the lattice periodicity does not exist in the CSROs.Further,it is pending as to the issues if and what kind of CSRO may be formed in a specific H/MEA.All these are ascribed to the challenge of experimentally seeing the CSROs.Until recently,the breakthrough does not appear to convincingly identify the CSROs in the H/MEAs by using the state-of-the-art transmission electron microscope.To be specific,the electron diffractions provide solid evidence to doubtlessly ascertain CSROs.The structure motif of CSROs is then constructed,showing both the lattice structure and species ordering occupation,along with the stereoscopic topography of the CSRO.It is suggested that the CSROs,as the first landscape along the path of development of the local chemical ordering,offer one more route to substantially develop the ordered structure on the atomic scale in the H/MEAs,parallel to the existing grain-leveled microstructure.The findings of CSROs make a step forward to understand the CSROs-oriented relationship between the microstructure and mechanical properties.This review focuses on the recent progress mainly in the experimental aspects of the identification,structure motif,and mechanical stability in CSROs,along with the chemical medium-range orders as the growing CSROs。展开更多
Uniaxial tensile tests were carried out at room temperature(RT)and 250℃,respectively,to investigate the effect of shortrange ordering(SRO)on the mechanical properties and deformation micromechanism of fine-grained(FG...Uniaxial tensile tests were carried out at room temperature(RT)and 250℃,respectively,to investigate the effect of shortrange ordering(SRO)on the mechanical properties and deformation micromechanism of fine-grained(FG)Cu–Mn alloys with high stacking fault energy.The results show that at RT,with the increase in SRO degree,the strength of FG Cu–Mn alloys is improved without a loss of ductility,and corresponding deformation micromechanism is mainly manifested by a decrease in the size of dislocation cells.In contrast,at a high temperature of 250℃,the SRO degree becomes violently enhanced with increasing Mn content,and the deformation microstructures thus transform from dislocation cells to planar slip bands and even to deformation twins,significantly enhancing the work hardening capacity of the alloys and thus achieving a better strength-ductility synergy of FG Cu–Mn alloys.展开更多
A biased sampling algorithm for the restricted Boltzmann machine(RBM) is proposed, which allows generating configurations with a conserved quantity. To validate the method, a study of the short-range order in binary a...A biased sampling algorithm for the restricted Boltzmann machine(RBM) is proposed, which allows generating configurations with a conserved quantity. To validate the method, a study of the short-range order in binary alloys with positive and negative exchange interactions is carried out. The network is trained on the data collected by Monte–Carlo simulations for a simple Ising-like binary alloy model and used to calculate the Warren–Cowley short-range order parameter and other thermodynamic properties. We demonstrate that the proposed method allows us not only to correctly reproduce the order parameters for the alloy concentration at which the network was trained, but can also predict them for any other concentrations.展开更多
The development of a Ni-based superalloy that consists of only theγ-solid-solution phase is highly desired for some applications such as high-temperature gas-cooled reactors in power plants.In this study,the temperat...The development of a Ni-based superalloy that consists of only theγ-solid-solution phase is highly desired for some applications such as high-temperature gas-cooled reactors in power plants.In this study,the temperature dependence of the plastic deformation behavior of Ni-22Cr-8W(at%)alloy was examined for the first time by using a single crystal,focusing on the influence of the short-range order(SRO),especially upon high-temperature deformation behavior.The critical resolved shear stress(CRSS)for(111)[10¯1]slip exhibited a rapid decrease as the temperature increased at low temperatures but an almost constant value of∼45 MPa between 500 and 900℃.In addition,a slight yield stress anomaly(YSA)was observed,reaching a maximum value at 1000℃.To clarify the influence of the SRO on the YSA behavior,the mechanical properties of Ni-8W and Ni-5Re single crystals were also examined.Similar temperature dependence for the CRSS,including the occurrence of slight YSA,was observed for Ni-8W,in which SRO developed.In the Ni-5Re single crystal in which SRO did not significantly develop,however,the CRSS monotonically decreased as the temperature increased.The results suggest that the presence of SRO in a Ni-Cr-W alloy contributes to the strengthening of the alloy not only at low temperatures but also at high temperatures up to∼1000℃.The results strongly suggested that the pseudo-PLC effect is related to the origin of YSA appearing in Ni-basedγ-solid-solution alloys at high temperatures.展开更多
The short-range order structures of Fe_xGe_(1-x) amorphous thin films,(x=8.7,19.1 and 28.5%)have been studied by means of X-ray absorption spectrum.The nearest neighbors around a Ge or an Fe atom are constituted by tw...The short-range order structures of Fe_xGe_(1-x) amorphous thin films,(x=8.7,19.1 and 28.5%)have been studied by means of X-ray absorption spectrum.The nearest neighbors around a Ge or an Fe atom are constituted by two coordinate sub-shells with a very short dis- tance,In two films with lower Fe content,structural parameters of the nearest neighbors around a Ge atom are very near to that in amorphous germanium,and the positions of Fe at- oms are randomly substitutional.But when x=28.5%,some great changes occur on the short-range order structure of a-Fe_xGe_(1-x) film:its structure deviates from continuous ran- dora network and tends toward dense random packing of atoms.Meanwhile,there is a strong- er interaction between near neighboring Fe-Ge atoms in a-Fe_xGe_(1-x) films.展开更多
Residual electrical resistivity of Ni2Cr alloy due to short-range order (SRO) has been calculated at a temperature which is above the transition temperature, Tc, from long-range order to shortrange order. The atomic f...Residual electrical resistivity of Ni2Cr alloy due to short-range order (SRO) has been calculated at a temperature which is above the transition temperature, Tc, from long-range order to shortrange order. The atomic form factors for Ni and Cr are calculated in the pseudopotential formalism. We discuss the result of our calculations indicating a decrease in the value of residual electrical resistivity due to SRO in the light of experimental resistivity studies done on Ni72.5Cr27.5 and Ni65Cr35.展开更多
The atomic configuration of chemical short-range order (CSRO) for the Zr-base metallic glasses was investigated by using nano-diffraction and high resolution transmission electronic microscopy (HRTEM) technology with...The atomic configuration of chemical short-range order (CSRO) for the Zr-base metallic glasses was investigated by using nano-diffraction and high resolution transmission electronic microscopy (HRTEM) technology with a beam size of 0.5 nm. It is il- lustrated that the pattern of atomic configuration of CSRO might have various compound counterparts because of the chemical inter- action of bonding atoms. Some atomic configuration of MCSRO is similar to the icosahedral structure with 10-fold symmetry of very weak spots. In deed, the nano-beam technology could clearly detect the evolution of atomic configuration in nanometer scale during the transformation from the metallic melt to the primary crystallization. The local atomic configuration of CSRO is also investigated by molecular dynamics simulation (MD) for the Zr2Ni compound in a wider temperature range. The CSRO in the melt could be pic- torially demonstrated as distorted coordination polyhedron of the compound structure and/or the structure similar to cubo-octahedron analogs. The MD simulation illustrates that the atomic packing of long-range order disappears just above the melting point, but the chemical interaction of bonding atoms still exists that leads to form the various CSRO with the atomic configuration similar to stable or metastable unit cell of Zr2Ni compound. The icosahedral polyhedron became more abundance as the overheating temperature was raised.展开更多
The intrinsic origins and formation of atomic-scale structure in multicomponent alloys remain largely unknown owing to limited simulations and inaccessible experiments.Herein,we report the formation of three-dimension...The intrinsic origins and formation of atomic-scale structure in multicomponent alloys remain largely unknown owing to limited simulations and inaccessible experiments.Herein,we report the formation of three-dimensional periodicity from a disordered atomic-scale structure to an imperfect/perfect ordered cluster and finally to long-range translational and rotational symmetry coupled with Nb heterogeneity.Significant atomic-scale structural clustering and atomic arrangements involving solvent or solute atoms simultaneously occurred during isothermal annealing.A close relationship between atomic-scale structural evolution and composition variation has important implications in depicting the chemical and topological packing during the early crystallization stage in metallic glasses.This work can provide a comprehensive understanding of how short-range orders evolve into long-range periodicity and will further shed light on the origins and nature of metallic glasses.展开更多
The effect of short-range ordering (SRO) on the low-cycle fatigue (LCF) behavior of low solid-solution hardening Ni-Cr alloys with high stacking fault energies (SFEs) was systematically studied under cycling at consta...The effect of short-range ordering (SRO) on the low-cycle fatigue (LCF) behavior of low solid-solution hardening Ni-Cr alloys with high stacking fault energies (SFEs) was systematically studied under cycling at constant total strain amplitude (Δε t /2) in the range of 0.1%–0.7%. The results show that an inducement of SRO structures can notably improve the fatigue life of the alloy regardless of Δε t /2, and several unique fatigue characteristics have been detected, including the transition of fatigue cracking mode from intergranular cracking to slip band cracking, the non-negligible evolution from non-Masing behavior in pure Ni to Masing behavior in the Ni-40Cr alloy, and the secondary cyclic hardening behavior in the Ni-10Cr and Ni-20Cr alloys. All these experimental phenomena are tightly associated with the transformation in cyclic deformation mechanisms that is induced by SRO based on the “glide plane softening” effect. Furthermore, a comprehensive fatigue life prediction model based on total hysteresis energy has been reasonably proposed, focusing on the analyses of the macroscopic model parameters (namely the fatigue cracking resistance exponent β and the crack propagation resistance parameter W 0 ) and microscopic damage mechanisms. In brief, on the premise that the effects of SFE and friction stress can be nearly ignored, as in the case of the present low solid-solution hardening Ni-Cr alloys with high SFEs, an enhancement of SRO in face-centered cubic metals has been convincingly confirmed to be an effective strategy to improve their LCF performance.展开更多
Neutron diffraction and total scattering are combined to investigate a series of single-phase 10-component compositionally complexfluorite-based oxides,[(Pr_(0.375)Nd_(0.375)Yb_(0.25))2(Ti_(0.5)Hf_(0.25)Zr_(0.25))_(2)O...Neutron diffraction and total scattering are combined to investigate a series of single-phase 10-component compositionally complexfluorite-based oxides,[(Pr_(0.375)Nd_(0.375)Yb_(0.25))2(Ti_(0.5)Hf_(0.25)Zr_(0.25))_(2)O_(7)]_(1-x)[(DyHoErNb)O_(7)]_(x),denoted as 10CCFBOxNb.A long-range order-disorder transition(ODT)occurs at x=0.81±0.01 from the ordered pyrochlore to disordered defectfluorite.In contrast to ternary oxides,this ODT occurs abruptly without an observable two-phase region;moreover,the phase stability in 10CCFBOs deviates from the well-established criteria for simpler oxides.Rietveld refinements of neutron diffraction patterns suggest that this ODT occurs via the migration of oxygen anions from the position 48f to 8a,with a smallfinal jump at the ODT;however,the 8a oxygen occupancy changes gradually(without an observable discontinuous jump).We further discover diffuse scattering in Nb-rich compositions,which suggests the presence of short-range order.Using small-box modelling,four compositions near ODT(x=0.75,0.8,0.85,and 1)can be betterfitted by C2221 weberite ordering for the local polyhedral structure at nanoscale.Interestingly,10CCFBO_(0.75)Nb and 10CCFBO_(0.8)Nb possess both long-range pyrochlore order and short-range weberite-type order,which can be understood from severe local distortion of the pyrochlore polyhedral structure.Thus,weberite-type short-range order emerges before the ODT,coexisting and interacting with long-range pyrochlore order.After the ODT,the long-range pyrochlore order vanishes but the short-range weberite-type order persists in the long-range disordered defectfluorite structure.Notably,a drop in the thermal conductivity coincides with emergence of the short-range order,instead of the long-range ODT.展开更多
Chemical short-range order(SRO)in multi-principal element alloys(MPEAs)and its unprecedented benefits on materials performance have been elucidated in recent experimental observations.Hence,manipulating the fine struc...Chemical short-range order(SRO)in multi-principal element alloys(MPEAs)and its unprecedented benefits on materials performance have been elucidated in recent experimental observations.Hence,manipulating the fine structure of SRO and its interaction with other coexisting SROs or defects becomes increasingly crucial for MPEAs design.Here,using TiZrNb,TiZrVNb,and TiZrV as the model systems,SRO and its interaction with surrounding environment,as well as its effects on mechanical properties are comprehensively explored through density functional theory-based Monte Carlo simulations.We find that both TiZrNb and TiZrVNb exhibit Ti-Zr SRO and Nb-Nb short-range clustering(SRC),whereas in TiZrV,Zr-V SRO occurs in addition to Ti-Zr SRO.SRO largely increases the modulus and the unstable stacking fault energy(USFE).At the electronic scale,SRO is found accompanied with a deeper pseudo-energy gap at Fermi level,and with a covalent bonding character between the metallic atoms.Due to the SRO-oxygen attraction,oxygen centered and Ti/Zr enriched octahedron coined as(O,2Ti,4Zr)-octahedron populates in TiZrNb-O and TiZrV-O.In TiZrVNb-O,there mainly exist two types of octahedral:(O,2Ti,4Zr)and(O,3Ti,3Zr).Quantitatively,forming these(O,Ti,Zr)-octahedra,the modulus and USFE of MPEAs are further increased compared to the individual contribution from SRO or oxygen,but the improvement does not surpass the sum of the increments induced by the two individuals.The present findings deepen the understanding of SROs and their interactions with surrounding environments,pushing forward the effective utilization of SRO in materials design.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
The synchrotron radiation beamline BL17B of the National Facility for Protein Science(NFPS)in Shanghai,situated at the Shanghai Synchrotron Radiation Facility(SSRF),was originally designed for diffraction experiments ...The synchrotron radiation beamline BL17B of the National Facility for Protein Science(NFPS)in Shanghai,situated at the Shanghai Synchrotron Radiation Facility(SSRF),was originally designed for diffraction experiments and accommodates techniques including single-crystal diffraction,powder diffraction,and grazing-incidence wide-angle X-ray scattering(GIWAXS)to enable the characterization of long-range ordered atomic structures.The academic community associated with BL17B engages in research domains encompassing biology,environment,energy,and materials,and a pronounced demand for characterizing short-range ordered structures exists.To address these requirements,BL17B established an advanced X-ray absorption fine structure(XAFS)experimental platform that enabled it to address a wide range of systems,from crystalline to amorphous and from long-range order to short-range order.The XAFS platform allows simultaneous XAFS data acquisition for both the transmission and fluorescence modes within an energy range of 5-23 keV,encompassing the K-edges of titanium to ruthenium and the L3-edges of cesium to bismuth.The platform exemplifies high levels of automation achieved through automated sample assessment and data collection based on large-capacity sample wheels that facilitate remote sample loading.When integrated with a highly integrated control system that simplifies experimental preparation and data collection,the XAFS platform significantly bolsters experimental efficiency and enhances user experience.Notably,the platform boasts an impressively low extended X-ray absorption fine structure(EXAFS)detection limit of 0.04 wt%for dilute copper phthalocyanine(CuPc)samples and an even more remarkable X-ray absorption near edge structure(XANES)detection threshold of 0.01 wt%.These results demonstrate the methodology?s reliability in low-concentration sample analysis,confirming its capability to generate high-quality XAFS data.展开更多
High/medium entropy alloys(H/MEAs)are generally possible to exhibit chemical short-range order(SRO).However,the complex role of SRO on mechanical properties from nano-scale to meso-scale is still challenging so far.He...High/medium entropy alloys(H/MEAs)are generally possible to exhibit chemical short-range order(SRO).However,the complex role of SRO on mechanical properties from nano-scale to meso-scale is still challenging so far.Here,we study the strengthening mechanism and deformation behavior in a model body-centered-cubic HfNbTa MEA by using atomic-scale molecular dynamics,micro-scale dislocation dynamics,and meso-scale crystal plasticity finite element.The SRO inhibits dislocation nucleation at the atomic scale,improving the flow stress.The SRO-induced ultrastrong local stress fluctuation greatly improves the micro-scale dislocation-based strength by the significant dislocation forest strengthening.Moreover,the Ta-rich locally ordered structure leads to an obvious heterogeneous strain and stress partitioning,which forms a strong strain gradient in the adjacent grain interiors and contributes to the strong back-stress-induced strain hardening.展开更多
Missile-borne short-range infrared detection(SIRD)technology is commonly used in military ground target detection.In complex battlefield environments,achieving precise strike on ground target is a challenging task.How...Missile-borne short-range infrared detection(SIRD)technology is commonly used in military ground target detection.In complex battlefield environments,achieving precise strike on ground target is a challenging task.However,real battlefield data is limited,and equivalent experiments are costly.Currently,there is a lack of comprehensive physical modeling and numerical simulation methods for SIRD.To this end,this study proposes a SIRD simulation framework incorporating full-link physical response,which is integrated through the radiative transfer layer,the sensor response layer,and the model-driven layer.In the radiative transfer layer,a coupled dynamic detection model is established to describe the external optical channel response of the SIRD system by combining the infrared radiation model and the geometric measurement model.In the sensor response layer,considering photoelectric conversion and signal processing,the internal signal response model of the SIRD system is established by a hybrid mode of parametric modeling and analog circuit analysis.In the model-driven layer,a cosimulation application based on a three-dimensional virtual environment is proposed to drive the full-link physical model,and a parallel ray tracing method is employed for real-time synchronous simulation.The proposed simulation framework can provide pixel-level signal output and is verified by the measured data.The evaluation results of the root mean square error(RMSE)and the Pearson correlation coefficient(PCC)show that the simulated data and the measured data achieve good consistency,and the evaluation results of the waveform eigenvalues indicate that the simulated signals exhibit low errors compared to the measured signals.The proposed simulation framework has the potential to acquire large sample datasets of SIRD under various complex battlefield environments and can provide an effective data source for SIRD application research.展开更多
基金Project supported by the Hunan Provincial Natural Science Foundation(Grant Nos.2024JJ6190 and 2024JK2007-1)。
文摘Chemical short-range order(SRO),a phenomenon at the atomic scale resulting from inhomogeneities in the local chemical environment,is usually studied using machine learning force field-based molecular dynamics simulations due to the limitations of experimental methods.To promote the reliable application of machine potentials in high-entropy alloy simulations,first,this work uses NEP models trained on two different datasets to predict the SRO coefficients of NbMoTaW.The results show that within the same machine learning framework,there are significant differences in the prediction of SRO coefficients for the Nb-Nb atomic pair.Subsequently,this work predicts the SRO coefficients of NbMoTaW using the NEP model and the SNAP model,both of which are trained on the same dataset.The results reveal significant discrepancies in SRO predictions for like-element pairs(e.g.,Nb-Nb and W-W)between the two potentials,despite the identical training data.The findings of this study indicate that discrepancies in the prediction results of SRO coefficients can arise from either the same machine learning framework trained on different datasets or different learning frameworks trained on the same dataset.This reflects possible incompleteness in the current training set's coverage of local chemical environments at the atomic scale.Future research should establish unified evaluation standards to assess the capability of training sets to accurately describe complex atomic-scale behaviors such as SRO.
基金supported by the Shanghai Key Laboratory of Material Frontiers Research in Extreme Environments,China(Grant No.22dz2260800)the Shanghai Science and Technology Committee,China(Grant No.22JC1410300).
文摘Multiple principal element alloys(MPEAs),also known as high-entropy alloys,have attracted significant attention because of their exceptional mechanical and thermal properties.A critical factor influencing these properties is suggested to be the presence of chemical short-range order(SRO),characterized by specific atomic arrangements occurring more frequently than in a random distribution.Despite extensive efforts to elucidate SRO,particularly in face-centered cubic(fcc)3d transition metal-based MPEAs,several key aspects remain under debate:the conditions under which SRO forms,the reliability of characterization methods for detecting SRO,and its quantitative impact on mechanical performance.This review summarizes the challenges and unresolved issues in this emerging field,drawing comparisons with well-established research on SRO in binary alloys over the past few decades.Through this cross-system comparison,we aim to provide new insights into SRO from a comprehensive perspective.
基金supported by the National Key Re-search and Development Program of the Ministry of Science and Technology of China(No.2019YFA0209902)the Natural Sci-ence Foundation of China(Nos.11988102 and 11972350).
文摘Chemical short-range orders(CSROs),as the built-in sub-nanoscale entities in a high-/medium-entropy alloy(H/MEA),have aroused an ever-increasing interest.With multi-principal elements in an H/MEA to form a complex concentrated solution,a variety of sub-systems of species exist to induce the metastable ordered compounds as candidates for ultimate CSROs.The issues remain pending on the origin of CSROs as to how to judge if CSRO will form in an H/MEA and particularly,what kind of CSROs would be stably produced if there were multiple possibilities.Here,the first-principles method,along with the proposed local formation energy calculation in allusion to the atomic-scale chemical heterogeneities,is used to predict the CSRO formation based on the mechanical stability,thermodynamic formation energy,and electronic characteristics.The simulations are detailed in an equiatomic ternary VCoNi MEA with three kinds of potential compounds,i.e.,L1_(1),L1_(2),and B2,in the face-centered cubic matrix.It turns out that L1_(1)is stable but hard to grow up so as to become the final CSRO.L1_(1)is further predicted as CSROs in CrCoNi,but unable to form in FeCoNi and CrMnFeCoNi alloys.These predictions are consistent with the experimental observations.Our findings shed light on understanding the formation of CSROs.This method is applicable to other H/MEAs to design and tailor CSROs by tuning chemical species/contents and thermal processing for high performance.
基金supported by the National Science Fund for Distinguished Young Scholar(No.11925203)the National Natural Science Foundation of China(No.12232006)+2 种基金the Guang-dong Basic and the Applied Basic Research Foundation(No.2022B1515120044)Xiaohu Yao also acknowledges support from National Key Laboratory of Shock Wave and Detonation Physics(No.JCKYS2023212002)Zhuocheng Xie gratefully acknowledges support from the China Scholarship Council(No.202106150123).
文摘The short-range order(SRO)in multi-principal element alloys(MPEAs)is an intriguing topic in advanced alloy research.The crucial question related to this topic lies in the effect of the local chemical fluctu-ations on the deformation behavior of MPEAs.In this study,the large-scale molecular dynamics(MD)simulation is used to investigate the dislocation glide behavior and mechanical performance of CoCrNi medium-entropy alloy(MEA)with respect to the SRO and lattice distortion(LD)effects.The slip plane softening and dislocation glide competition are found in the models with SRO.The change of energy barrier caused by SRO degeneration is the dominant reason for the slip plane softening,while the combi-nation of dislocation pinning and slip plane softening leads to the dislocation glide competition,which is the primary mechanism for the shear localization in the CoCrNi MEA with SRO.Moreover,the dislocation glide competition compensates for the strength loss induced by slip plane softening.The results provide a new proposition for the conflicting simulation and experimental results on the topic of the SRO effect in MPEAs.
基金supported by the National Natural Science Foundation of China(Nos.51921001,51871016,51971017,51531001,51901013,and 51671021)111 Project(B07003)+3 种基金Program for Changjiang Scholars and Innovative Research Team in University of China(IRT-14R05)the Projects of SKLAMM-USTBthe financial support from the Fundamental Research Fund for the Central Universities(No.FRF-BD-19002B)National Key Basic Research Program,China(No.2016YFB0300502)。
文摘In this letter,we briefly summarize experimental and theoretical findings of fo rmation and characterization of short-range orderings(SROs)as well as their effects on the defo rmation behavior of high-entropy alloys(HEAs).We show that existence of SROs is a common yet key structural feature of HEAs,and tuning the degree of SROs is an effective way for optimizing mechanical properties of HEAs.In additional,the challenges concerning about formation mechanism and characterization of SROs in HEAs are discussed,and future research activities in this regard are also proposed.
基金supported by the National Key Research and Development Program of the Ministry of Science and Technology of China(No.2019YFA0209902)the National Natural Science Foundation of China(Nos.11998102,11972350,and 11790293)the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB22040503).
文摘High(or medium)-entropy alloys(H/MEAs)are complex concentrated solid solutions prone to develop the chemical short-range orders(CSROs),as an indispensable structural constituent to make H/MEAs essentially different from the traditional alloys.The CSROs are predicted to play roles in dislocation behaviors and mechanical properties.So far,the image of CSROs is built up by the theoretical modeling and computational simulations in terms of the conventional concept,i.e.,the preference/avoidance of elemental species to satisfy the short-ranged ordering in the first and the next couple of nearest-neighbor atomic shells.In these simulated CSROs,however,the structural image is missing on the atomic scale,even though the lattice periodicity does not exist in the CSROs.Further,it is pending as to the issues if and what kind of CSRO may be formed in a specific H/MEA.All these are ascribed to the challenge of experimentally seeing the CSROs.Until recently,the breakthrough does not appear to convincingly identify the CSROs in the H/MEAs by using the state-of-the-art transmission electron microscope.To be specific,the electron diffractions provide solid evidence to doubtlessly ascertain CSROs.The structure motif of CSROs is then constructed,showing both the lattice structure and species ordering occupation,along with the stereoscopic topography of the CSRO.It is suggested that the CSROs,as the first landscape along the path of development of the local chemical ordering,offer one more route to substantially develop the ordered structure on the atomic scale in the H/MEAs,parallel to the existing grain-leveled microstructure.The findings of CSROs make a step forward to understand the CSROs-oriented relationship between the microstructure and mechanical properties.This review focuses on the recent progress mainly in the experimental aspects of the identification,structure motif,and mechanical stability in CSROs,along with the chemical medium-range orders as the growing CSROs。
基金supported by the National Natural Science Foundation of China(NSFC)under Grant Nos.51571058 and 51871048。
文摘Uniaxial tensile tests were carried out at room temperature(RT)and 250℃,respectively,to investigate the effect of shortrange ordering(SRO)on the mechanical properties and deformation micromechanism of fine-grained(FG)Cu–Mn alloys with high stacking fault energy.The results show that at RT,with the increase in SRO degree,the strength of FG Cu–Mn alloys is improved without a loss of ductility,and corresponding deformation micromechanism is mainly manifested by a decrease in the size of dislocation cells.In contrast,at a high temperature of 250℃,the SRO degree becomes violently enhanced with increasing Mn content,and the deformation microstructures thus transform from dislocation cells to planar slip bands and even to deformation twins,significantly enhancing the work hardening capacity of the alloys and thus achieving a better strength-ductility synergy of FG Cu–Mn alloys.
基金supported by the financing program AAAA-A16-116021010082-8。
文摘A biased sampling algorithm for the restricted Boltzmann machine(RBM) is proposed, which allows generating configurations with a conserved quantity. To validate the method, a study of the short-range order in binary alloys with positive and negative exchange interactions is carried out. The network is trained on the data collected by Monte–Carlo simulations for a simple Ising-like binary alloy model and used to calculate the Warren–Cowley short-range order parameter and other thermodynamic properties. We demonstrate that the proposed method allows us not only to correctly reproduce the order parameters for the alloy concentration at which the network was trained, but can also predict them for any other concentrations.
基金Iketani Science and Technology Foundation,Japan(No.0221044-A)Grant-in-Aid for Young Scientist(B)from the Japan Society for the Promotion of Science(JSPSgrant number:22760540).
文摘The development of a Ni-based superalloy that consists of only theγ-solid-solution phase is highly desired for some applications such as high-temperature gas-cooled reactors in power plants.In this study,the temperature dependence of the plastic deformation behavior of Ni-22Cr-8W(at%)alloy was examined for the first time by using a single crystal,focusing on the influence of the short-range order(SRO),especially upon high-temperature deformation behavior.The critical resolved shear stress(CRSS)for(111)[10¯1]slip exhibited a rapid decrease as the temperature increased at low temperatures but an almost constant value of∼45 MPa between 500 and 900℃.In addition,a slight yield stress anomaly(YSA)was observed,reaching a maximum value at 1000℃.To clarify the influence of the SRO on the YSA behavior,the mechanical properties of Ni-8W and Ni-5Re single crystals were also examined.Similar temperature dependence for the CRSS,including the occurrence of slight YSA,was observed for Ni-8W,in which SRO developed.In the Ni-5Re single crystal in which SRO did not significantly develop,however,the CRSS monotonically decreased as the temperature increased.The results suggest that the presence of SRO in a Ni-Cr-W alloy contributes to the strengthening of the alloy not only at low temperatures but also at high temperatures up to∼1000℃.The results strongly suggested that the pseudo-PLC effect is related to the origin of YSA appearing in Ni-basedγ-solid-solution alloys at high temperatures.
文摘The short-range order structures of Fe_xGe_(1-x) amorphous thin films,(x=8.7,19.1 and 28.5%)have been studied by means of X-ray absorption spectrum.The nearest neighbors around a Ge or an Fe atom are constituted by two coordinate sub-shells with a very short dis- tance,In two films with lower Fe content,structural parameters of the nearest neighbors around a Ge atom are very near to that in amorphous germanium,and the positions of Fe at- oms are randomly substitutional.But when x=28.5%,some great changes occur on the short-range order structure of a-Fe_xGe_(1-x) film:its structure deviates from continuous ran- dora network and tends toward dense random packing of atoms.Meanwhile,there is a strong- er interaction between near neighboring Fe-Ge atoms in a-Fe_xGe_(1-x) films.
文摘Residual electrical resistivity of Ni2Cr alloy due to short-range order (SRO) has been calculated at a temperature which is above the transition temperature, Tc, from long-range order to shortrange order. The atomic form factors for Ni and Cr are calculated in the pseudopotential formalism. We discuss the result of our calculations indicating a decrease in the value of residual electrical resistivity due to SRO in the light of experimental resistivity studies done on Ni72.5Cr27.5 and Ni65Cr35.
基金This work is supported by (1) National Natural Science Foundation of China (No.50071005 50431030 and 50171006+1 种基金 (2) Hi-techResearch and Development Program of China (No.2001AA331010) (3) Major State Basic Research Development Program of China(973) (G2000 67201-3) and Major Program of Science and Technology of Beijing (H020420030320).
文摘The atomic configuration of chemical short-range order (CSRO) for the Zr-base metallic glasses was investigated by using nano-diffraction and high resolution transmission electronic microscopy (HRTEM) technology with a beam size of 0.5 nm. It is il- lustrated that the pattern of atomic configuration of CSRO might have various compound counterparts because of the chemical inter- action of bonding atoms. Some atomic configuration of MCSRO is similar to the icosahedral structure with 10-fold symmetry of very weak spots. In deed, the nano-beam technology could clearly detect the evolution of atomic configuration in nanometer scale during the transformation from the metallic melt to the primary crystallization. The local atomic configuration of CSRO is also investigated by molecular dynamics simulation (MD) for the Zr2Ni compound in a wider temperature range. The CSRO in the melt could be pic- torially demonstrated as distorted coordination polyhedron of the compound structure and/or the structure similar to cubo-octahedron analogs. The MD simulation illustrates that the atomic packing of long-range order disappears just above the melting point, but the chemical interaction of bonding atoms still exists that leads to form the various CSRO with the atomic configuration similar to stable or metastable unit cell of Zr2Ni compound. The icosahedral polyhedron became more abundance as the overheating temperature was raised.
基金the financial support from the National Natural Science Foundation of China(Grant Nos.52074257 and 51790484)the Chinese Academy of Sciences(Grant No.ZDBSLY-JSC023)+1 种基金the Liao Ning Revitalization Talents Program(Grant Nos.XLYC1802078 and XLYC1807062)the fund of Qingdao(Grant No.19-9-2-1-wz)。
文摘The intrinsic origins and formation of atomic-scale structure in multicomponent alloys remain largely unknown owing to limited simulations and inaccessible experiments.Herein,we report the formation of three-dimensional periodicity from a disordered atomic-scale structure to an imperfect/perfect ordered cluster and finally to long-range translational and rotational symmetry coupled with Nb heterogeneity.Significant atomic-scale structural clustering and atomic arrangements involving solvent or solute atoms simultaneously occurred during isothermal annealing.A close relationship between atomic-scale structural evolution and composition variation has important implications in depicting the chemical and topological packing during the early crystallization stage in metallic glasses.This work can provide a comprehensive understanding of how short-range orders evolve into long-range periodicity and will further shed light on the origins and nature of metallic glasses.
基金financially supported by the National Natural Science Foundation of China(NSFC)under Grant Nos.51571058 and 52171108。
文摘The effect of short-range ordering (SRO) on the low-cycle fatigue (LCF) behavior of low solid-solution hardening Ni-Cr alloys with high stacking fault energies (SFEs) was systematically studied under cycling at constant total strain amplitude (Δε t /2) in the range of 0.1%–0.7%. The results show that an inducement of SRO structures can notably improve the fatigue life of the alloy regardless of Δε t /2, and several unique fatigue characteristics have been detected, including the transition of fatigue cracking mode from intergranular cracking to slip band cracking, the non-negligible evolution from non-Masing behavior in pure Ni to Masing behavior in the Ni-40Cr alloy, and the secondary cyclic hardening behavior in the Ni-10Cr and Ni-20Cr alloys. All these experimental phenomena are tightly associated with the transformation in cyclic deformation mechanisms that is induced by SRO based on the “glide plane softening” effect. Furthermore, a comprehensive fatigue life prediction model based on total hysteresis energy has been reasonably proposed, focusing on the analyses of the macroscopic model parameters (namely the fatigue cracking resistance exponent β and the crack propagation resistance parameter W 0 ) and microscopic damage mechanisms. In brief, on the premise that the effects of SFE and friction stress can be nearly ignored, as in the case of the present low solid-solution hardening Ni-Cr alloys with high SFEs, an enhancement of SRO in face-centered cubic metals has been convincingly confirmed to be an effective strategy to improve their LCF performance.
基金supported by the National Science Foundation(NSF)via Grant No.DMR-2026193.A portion of this research used resources at the Spallation Neutron Source,a DOE Office of Science User Facility operated by the ORNL.The STEM work was performed at the Irvine Materials Research Institute(IMRI).
文摘Neutron diffraction and total scattering are combined to investigate a series of single-phase 10-component compositionally complexfluorite-based oxides,[(Pr_(0.375)Nd_(0.375)Yb_(0.25))2(Ti_(0.5)Hf_(0.25)Zr_(0.25))_(2)O_(7)]_(1-x)[(DyHoErNb)O_(7)]_(x),denoted as 10CCFBOxNb.A long-range order-disorder transition(ODT)occurs at x=0.81±0.01 from the ordered pyrochlore to disordered defectfluorite.In contrast to ternary oxides,this ODT occurs abruptly without an observable two-phase region;moreover,the phase stability in 10CCFBOs deviates from the well-established criteria for simpler oxides.Rietveld refinements of neutron diffraction patterns suggest that this ODT occurs via the migration of oxygen anions from the position 48f to 8a,with a smallfinal jump at the ODT;however,the 8a oxygen occupancy changes gradually(without an observable discontinuous jump).We further discover diffuse scattering in Nb-rich compositions,which suggests the presence of short-range order.Using small-box modelling,four compositions near ODT(x=0.75,0.8,0.85,and 1)can be betterfitted by C2221 weberite ordering for the local polyhedral structure at nanoscale.Interestingly,10CCFBO_(0.75)Nb and 10CCFBO_(0.8)Nb possess both long-range pyrochlore order and short-range weberite-type order,which can be understood from severe local distortion of the pyrochlore polyhedral structure.Thus,weberite-type short-range order emerges before the ODT,coexisting and interacting with long-range pyrochlore order.After the ODT,the long-range pyrochlore order vanishes but the short-range weberite-type order persists in the long-range disordered defectfluorite structure.Notably,a drop in the thermal conductivity coincides with emergence of the short-range order,instead of the long-range ODT.
基金financially supported by the National Natural Science Foundation of China(No.52173216)CNPC Science and Technology Project"Research and Development of Corrosion Resistant Materials for Extreme Environments"(No.2023ZZ11-02).
文摘Chemical short-range order(SRO)in multi-principal element alloys(MPEAs)and its unprecedented benefits on materials performance have been elucidated in recent experimental observations.Hence,manipulating the fine structure of SRO and its interaction with other coexisting SROs or defects becomes increasingly crucial for MPEAs design.Here,using TiZrNb,TiZrVNb,and TiZrV as the model systems,SRO and its interaction with surrounding environment,as well as its effects on mechanical properties are comprehensively explored through density functional theory-based Monte Carlo simulations.We find that both TiZrNb and TiZrVNb exhibit Ti-Zr SRO and Nb-Nb short-range clustering(SRC),whereas in TiZrV,Zr-V SRO occurs in addition to Ti-Zr SRO.SRO largely increases the modulus and the unstable stacking fault energy(USFE).At the electronic scale,SRO is found accompanied with a deeper pseudo-energy gap at Fermi level,and with a covalent bonding character between the metallic atoms.Due to the SRO-oxygen attraction,oxygen centered and Ti/Zr enriched octahedron coined as(O,2Ti,4Zr)-octahedron populates in TiZrNb-O and TiZrV-O.In TiZrVNb-O,there mainly exist two types of octahedral:(O,2Ti,4Zr)and(O,3Ti,3Zr).Quantitatively,forming these(O,Ti,Zr)-octahedra,the modulus and USFE of MPEAs are further increased compared to the individual contribution from SRO or oxygen,but the improvement does not surpass the sum of the increments induced by the two individuals.The present findings deepen the understanding of SROs and their interactions with surrounding environments,pushing forward the effective utilization of SRO in materials design.
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.
基金supported by the Chinese Academy of Science(CAS)Key Technology Talent Program(No.2021000022)。
文摘The synchrotron radiation beamline BL17B of the National Facility for Protein Science(NFPS)in Shanghai,situated at the Shanghai Synchrotron Radiation Facility(SSRF),was originally designed for diffraction experiments and accommodates techniques including single-crystal diffraction,powder diffraction,and grazing-incidence wide-angle X-ray scattering(GIWAXS)to enable the characterization of long-range ordered atomic structures.The academic community associated with BL17B engages in research domains encompassing biology,environment,energy,and materials,and a pronounced demand for characterizing short-range ordered structures exists.To address these requirements,BL17B established an advanced X-ray absorption fine structure(XAFS)experimental platform that enabled it to address a wide range of systems,from crystalline to amorphous and from long-range order to short-range order.The XAFS platform allows simultaneous XAFS data acquisition for both the transmission and fluorescence modes within an energy range of 5-23 keV,encompassing the K-edges of titanium to ruthenium and the L3-edges of cesium to bismuth.The platform exemplifies high levels of automation achieved through automated sample assessment and data collection based on large-capacity sample wheels that facilitate remote sample loading.When integrated with a highly integrated control system that simplifies experimental preparation and data collection,the XAFS platform significantly bolsters experimental efficiency and enhances user experience.Notably,the platform boasts an impressively low extended X-ray absorption fine structure(EXAFS)detection limit of 0.04 wt%for dilute copper phthalocyanine(CuPc)samples and an even more remarkable X-ray absorption near edge structure(XANES)detection threshold of 0.01 wt%.These results demonstrate the methodology?s reliability in low-concentration sample analysis,confirming its capability to generate high-quality XAFS data.
基金supported by the National Natural Science Foundation of China(Grant Nos.12372069,12302083,and 12172123)China Postdoctoral Science Foundation(Grant Nos.2023M731061 and BX20230109)+2 种基金the Natural Science Foundation of Hunan Province(Grant No.2022JJ20001)Hunan Provincial Innovation Foundation for Postgraduate(Grant No.CX20220378)Peter K.Liaw very much appreciates the support from the National Science Foundation(Grant Nos.DMR-1611180,1809640,and 2226508).
文摘High/medium entropy alloys(H/MEAs)are generally possible to exhibit chemical short-range order(SRO).However,the complex role of SRO on mechanical properties from nano-scale to meso-scale is still challenging so far.Here,we study the strengthening mechanism and deformation behavior in a model body-centered-cubic HfNbTa MEA by using atomic-scale molecular dynamics,micro-scale dislocation dynamics,and meso-scale crystal plasticity finite element.The SRO inhibits dislocation nucleation at the atomic scale,improving the flow stress.The SRO-induced ultrastrong local stress fluctuation greatly improves the micro-scale dislocation-based strength by the significant dislocation forest strengthening.Moreover,the Ta-rich locally ordered structure leads to an obvious heterogeneous strain and stress partitioning,which forms a strong strain gradient in the adjacent grain interiors and contributes to the strong back-stress-induced strain hardening.
基金supported by the Foundation of Equipment Preresearch Area(Grant No.80919010303).
文摘Missile-borne short-range infrared detection(SIRD)technology is commonly used in military ground target detection.In complex battlefield environments,achieving precise strike on ground target is a challenging task.However,real battlefield data is limited,and equivalent experiments are costly.Currently,there is a lack of comprehensive physical modeling and numerical simulation methods for SIRD.To this end,this study proposes a SIRD simulation framework incorporating full-link physical response,which is integrated through the radiative transfer layer,the sensor response layer,and the model-driven layer.In the radiative transfer layer,a coupled dynamic detection model is established to describe the external optical channel response of the SIRD system by combining the infrared radiation model and the geometric measurement model.In the sensor response layer,considering photoelectric conversion and signal processing,the internal signal response model of the SIRD system is established by a hybrid mode of parametric modeling and analog circuit analysis.In the model-driven layer,a cosimulation application based on a three-dimensional virtual environment is proposed to drive the full-link physical model,and a parallel ray tracing method is employed for real-time synchronous simulation.The proposed simulation framework can provide pixel-level signal output and is verified by the measured data.The evaluation results of the root mean square error(RMSE)and the Pearson correlation coefficient(PCC)show that the simulated data and the measured data achieve good consistency,and the evaluation results of the waveform eigenvalues indicate that the simulated signals exhibit low errors compared to the measured signals.The proposed simulation framework has the potential to acquire large sample datasets of SIRD under various complex battlefield environments and can provide an effective data source for SIRD application research.
