Massive amounts of data are acquired in modern and future information technology industries such as communication,radar,and remote sensing.The presence of large dimensionality and size in these data offers new opportu...Massive amounts of data are acquired in modern and future information technology industries such as communication,radar,and remote sensing.The presence of large dimensionality and size in these data offers new opportunities to enhance the performance of signal processing in such applications and even motivate new ones.However,the curse of dimensionality is always a challenge when processing such high-dimensional signals.In practical tasks,high-dimensional signals need to be acquired,processed,and analyzed with high accuracy,robustness,and computational efficiency.This special section aims to address these challenges,where articles attempt to develop new theories and methods that are best suited to the high dimensional nature of the signals involved,and explore modern and emerging applications in this area.展开更多
We report a linear-scaling random Green's function(rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projec...We report a linear-scaling random Green's function(rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projecting onto Krylov subspace. With the rGF method, the Fermi–Dirac operator can be obtained directly, avoiding the polynomial expansion to Fermi–Dirac function. To demonstrate the applicability, we implement the rGF method with the density-functional tight-binding method. It is shown that the Krylov subspace can maintain at small size for materials with different gaps at zero temperature, including H_(2)O and Si clusters. We find with a simple deflation technique that the rGF self-consistent calculation of H_(2)O clusters at T = 0 K can reach an error of~ 1 me V per H_(2)O molecule in total energy, compared to deterministic calculations. The rGF method provides an effective stochastic method for large-scale electronic structure simulation.展开更多
To solve the inaccuracy problem caused by the two existing methods (averageend-area method and prismoidal method) used for the calculation of roadway earthwork volume, thispaper puts forward a new concept of the 3-dim...To solve the inaccuracy problem caused by the two existing methods (averageend-area method and prismoidal method) used for the calculation of roadway earthwork volume, thispaper puts forward a new concept of the 3-dimensional algorithm that takes all the roadway geometricdesign procedures as a kind of geometrical operation between the ground model (original terrainmodel) and the roadway model (designed model) under certain constraints, and then presents acomplete 3-dimensional algorithm of roadway earthwork volume as well as its executable computerprogram. The algorithm benefits from the re-triangulation technique of constrained delaunaytriangulation (CDT), which can yield a true volume value theoretically. Through a number ofpractical testscovering varied intervals between adjacent cross sections, it is proven to possess ahigher accuracy compared with that of traditional methods. All the work involved in this paperindicates that the 3-dimensional calculation of roadway earthwork volumeis feasible, more accurateand should have further application in practice.展开更多
Unconventional antiferromagnetism dubbed as altermagnetism was first discovered in rutile structured magnets,which is featured by spin splitting even without the spin–orbital coupling effect.This interesting phenomen...Unconventional antiferromagnetism dubbed as altermagnetism was first discovered in rutile structured magnets,which is featured by spin splitting even without the spin–orbital coupling effect.This interesting phenomenon has been discovered in more altermagnetic materials.In this work,we explore two-dimensional altermagnetic materials by studying two series of two-dimensional magnets,including MF4 with M covering all 3d and 4d transition metal elements,as well as TS2 with T=V,Cr,Mn,Fe.Through the magnetic symmetry operation of RuF4 and MnS2,it is verified that breaking the time inversion is a necessary condition for spin splitting.Based on symmetry analysis and first-principles calculations,we find that the electronic bands and magnon dispersion experience alternating spin splitting along the same path.This work paves the way for exploring altermagnetism in two-dimensional materials.展开更多
The two-dimensional(2D)Janus monolayers are promising in spintronic device application due to their enhanced magnetic couplings and Curie temperatures.Van der Waals CrCl_(3) monolayer has been experimentally proved to...The two-dimensional(2D)Janus monolayers are promising in spintronic device application due to their enhanced magnetic couplings and Curie temperatures.Van der Waals CrCl_(3) monolayer has been experimentally proved to have an in-plane magnetic easy axis and a low Curie temperature of 17 K,which will limit its application in spintronic devices.In this work,we propose a new Janus monolayer Cr_(2)Cl_(3)S_(3) based on the first principles calculations.The phonon dispersion and elastic constants confirm that Janus monolayer Cr_(2)Cl_(3)S_(3) is dynamically and mechanically stable.Our Monte Carlo simulation results based on magnetic exchange constants reveal that Janus monolayer Cr_(2)Cl_(3)S_(3) is an intrinsic ferromagnetic semiconductor with TC of 180 K,which is much higher than that of CrCl_(3) due to the enhanced ferromagnetic coupling caused by S substitution.Moreover,the magnetic easy axis of Janus Cr_(2)Cl_(3)S_(3) can be tuned to the perpendicular direction with a large magnetic anisotropy energy(MAE)of 142eV/Cr.Furthermore,the effect of biaxial strain on the magnetic property of Janus monolayer Cr_(2)Cl_(3)S_(3) is evaluated.It is found that the Curie temperature is more robust under tensile strain.This work indicates that the Janus monolayer Cr_(2)Cl_(3)S_(3) presents increased Curie temperature and out-of-plane magnetic easy axis,suggesting greater application potential in 2D spintronic devices.展开更多
This paper introduces and establishes a quasi-three-dimensional physical model of the interaction between a laser and a slab target.In contrast to previous one-dimensional analytical models,this paper innovatively fit...This paper introduces and establishes a quasi-three-dimensional physical model of the interaction between a laser and a slab target.In contrast to previous one-dimensional analytical models,this paper innovatively fits the real laser conditions based on an isothermal,homogeneous expansion similarity solution of the ideal hydrodynamic equations.Using this simple model,the evolution law and analytical formulae for key parameters(e.g.,temperature,density and scale length)in the corona region under certain conditions are given.The analytical solutions agree well with the relevant results of computational hydrodynamics simulation.For constant laser irradiation,the analytical solutions provide a meaningful power-law scaling relationship.The model provides a set of mathematical and physical tools that give theoretical support for adjusting parameters in experiments.展开更多
Ni-Fe-based oxides are among the most promising catalysts developed to date for the bottleneck oxygen evolution reaction(OER)in water electrolysis.However,understanding and mastering the synergy of Ni and Fe remain ch...Ni-Fe-based oxides are among the most promising catalysts developed to date for the bottleneck oxygen evolution reaction(OER)in water electrolysis.However,understanding and mastering the synergy of Ni and Fe remain challenging.Herein,we report that the synergy between Ni and Fe can be tailored by crystal dimensionality of Ni,Fe-contained Ruddlesden-Popper(RP)-type perovskites(La_(0.125)Sr_(0.875))n+1(Ni_(0.25)Fe_(0.75))nO3n+1(n=1,2,3),where the material with n=3 shows the best OER performance in alkaline media.Soft X-ray absorption spectroscopy spectra before and after OER reveal that the material with n=3 shows enhanced Ni/Fe-O covalency to boost the electron transfer as compared to those with n=1 and n=2.Further experimental investigations demonstrate that the Fe ion is the active site and the Ni ion is the stable site in this system,where such unique synergy reaches the optimum at n=3.Besides,as n increases,the proportion of unstable rock-salt layers accordingly decreases and the leaching of ions(especially Sr^(2+))into the electrolyte is suppressed,which induces a decrease in the leaching of active Fe ions,ultimately leading to enhanced stability.This work provides a new avenue for rational catalyst design through the dimensional strategy.展开更多
As a new generation electrode materials for energy storage,perovskites have attracted wide attention because of their unique crystal structure,reversible active sites,rich oxygen vacancies,and good stability.In this r...As a new generation electrode materials for energy storage,perovskites have attracted wide attention because of their unique crystal structure,reversible active sites,rich oxygen vacancies,and good stability.In this review,the design and engineering progress of perovskite materials for supercapacitors(SCs)in recent years is summarized.Specifically,the review will focus on four types of perovskites,perovskite oxides,halide perovskites,fluoride perovskites,and multi-perovskites,within the context of their intrinsic structure and corresponding electrochemical performance.A series of experimental variables,such as synthesis,crystal structure,and electrochemical reaction mechanism,will be carefully analyzed by combining various advanced characterization techniques and theoretical calculations.The applications of these materials as electrodes are then featured for various SCs.Finally,we look forward to the prospects and challenges of perovskite-type SCs electrodes,as well as the future research direction.展开更多
Based on experiments and first-principles calculations,the microstructures and mechanical properties of as-cast and solution treated Mg-10Gd-4Y-xZn-0.6Zr(x=0,1,2,wt.%)alloys are investigated.The transformation process...Based on experiments and first-principles calculations,the microstructures and mechanical properties of as-cast and solution treated Mg-10Gd-4Y-xZn-0.6Zr(x=0,1,2,wt.%)alloys are investigated.The transformation process of long-period stacking ordered(LPSO)structure during solidification and heat treatment and its effect on the mechanical properties of experimental alloys are discussed.Results reveal that the stacking faults and 18R LPSO phases appear in the as-cast Mg-10Gd-4Y-1Zn-0.6Zr and Mg-10Gd-4Y-2Zn-0.6Zr alloys,respectively.After solution treatment,the stacking faults and 18R LPSO phase transform into 14H LPSO phase.The Enthalpies of formation and reaction energy of 14H and 18R LPSO are calculated based on first-principles.Results show that the alloying ability of 18R is stronger than that of 14H.The reaction energies show that the 14H LPSO phase is more stable than the 18R LPSO.The elastic properties of the 14H and 18R LPSO phases are also evaluated by first-principles calculations,and the results are in good agreement with the experimental results.The precipitation of LPSO phase improves the tensile strength,yield strength and elongation of the alloy.After solution treatment,the Mg-10Gd-4Y-2Zn-0.6Zr alloy has the best mechanical properties,and its ultimate tensile strength and yield strength are 278.7 MPa and 196.4 MPa,respectively.The elongation of Mg-10Gd-4Y-2Zn-0.6Zr reaches 15.1,which is higher than that of Mg-10Gd-4Y0.6Zr alloy.The improving mechanism of elastic modulus by the LPSO phases and the influence on the alloy mechanical properties are also analyzed.展开更多
We propose a scheme for realizing the spin direction-dependent quantum anomalous Hall effect(QAHE)driven by spin-orbit couplings(SOC)in two-dimensional(2D)materials.Based on the sp^(3)tight-binding(TB)model,we find th...We propose a scheme for realizing the spin direction-dependent quantum anomalous Hall effect(QAHE)driven by spin-orbit couplings(SOC)in two-dimensional(2D)materials.Based on the sp^(3)tight-binding(TB)model,we find that these systems can exhibit a QAHE with out-of-plane and in-plane magnetization for the weak and strong SOC,respectively,in which the mechanism of quantum transition is mainly driven by the band inversion of p_(x,y)/p_(z)orbitals.As a concrete example,based on first-principles calculations,we realize a real material of monolayer 1T-SnN_(2)/PbN_(2)exhibiting the QAHE with in-plane/out-of-plane magnetization characterized by the nonzero Chern number C and topological edge states.These findings provide useful guidance for the pursuit of a spin direction-dependent QAHE and hence stimulate immediate experimental interest.展开更多
Integrable systems play a crucial role in physics and mathematics.In particular,the traditional(1+1)-dimensional and(2+1)-dimensional integrable systems have received significant attention due to the rarity of integra...Integrable systems play a crucial role in physics and mathematics.In particular,the traditional(1+1)-dimensional and(2+1)-dimensional integrable systems have received significant attention due to the rarity of integrable systems in higher dimensions.Recent studies have shown that abundant higher-dimensional integrable systems can be constructed from(1+1)-dimensional integrable systems by using a deformation algorithm.Here we establish a new(2+1)-dimensional Chen-Lee-Liu(C-L-L)equation using the deformation algorithm from the(1+1)-dimensional C-L-L equation.The new system is integrable with its Lax pair obtained by applying the deformation algorithm to that of the(1+1)-dimension.It is challenging to obtain the exact solutions for the new integrable system because the new system combines both the original C-L-L equation and its reciprocal transformation.The traveling wave solutions are derived in implicit function expression,and some asymmetry peakon solutions are found.展开更多
For the first time, for different organic and inorganic compounds possessing the plastic crystalline phase, a new semiempirical equation describing dependence of their fusion enthalpies on such physico-chemical quanti...For the first time, for different organic and inorganic compounds possessing the plastic crystalline phase, a new semiempirical equation describing dependence of their fusion enthalpies on such physico-chemical quantities as normal melting temperature, surface tension, molar volume and critical molar volume is received on the base of the principle of corresponding states and the energy equipartition theorem. Moreover, the proposed equation allows one to take into account the particularities of one-particle molecular rotation in the plastic crystalline phase.展开更多
A versatile analytical method(VAM) for calculating the harmonic components of the magnetomotive force(MMF) generated by diverse armature windings in AC machines has been proposed, and the versatility of this method ha...A versatile analytical method(VAM) for calculating the harmonic components of the magnetomotive force(MMF) generated by diverse armature windings in AC machines has been proposed, and the versatility of this method has been established in early literature. However, its practical applications and significance in advancing the analysis of AC machines need further elaboration. This paper aims to complement VAM by augmenting its theory, offering additional insights into its conclusions, as well as demonstrating its utility in assessing armature windings and its application of calculating torque for permanent magnet synchronous machines(PMSM). This work contributes to advancing the analysis of AC machines and underscores the potential for improved design and performance optimization.展开更多
Electrocatalytic water splitting is crucial for H2generation via hydrogen evolution reaction(HER)but subject to the sluggish dynamics of oxygen evolution reaction(OER).In this work,single Fe atomdoped MoS_(2)nanosheet...Electrocatalytic water splitting is crucial for H2generation via hydrogen evolution reaction(HER)but subject to the sluggish dynamics of oxygen evolution reaction(OER).In this work,single Fe atomdoped MoS_(2)nanosheets(SFe-DMNs)were prepared based on the high-throughput density functional theory(DFT)calculation screening.Due to the synergistic effect between Fe atom and MoS_(2)and optimized intermediate binding energy,the SFe-DMNs could deliver outstanding activity for both HER and OER.When assembled into a two-electrode electrolytic cell,the SFe-DMNs could achieve the current density of 50 mA cm^(-2)at a low cell voltage of 1.55 V under neutral condition.These results not only confirmed the effectiveness of high-throughput screening,but also revealed the excellent activity and thus the potential applications in fuel cells of SFe-DMNs.展开更多
Fractal theory offers a powerful tool for the precise description and quantification of the complex pore structures in reservoir rocks,crucial for understanding the storage and migration characteristics of media withi...Fractal theory offers a powerful tool for the precise description and quantification of the complex pore structures in reservoir rocks,crucial for understanding the storage and migration characteristics of media within these rocks.Faced with the challenge of calculating the three-dimensional fractal dimensions of rock porosity,this study proposes an innovative computational process that directly calculates the three-dimensional fractal dimensions from a geometric perspective.By employing a composite denoising approach that integrates Fourier transform(FT)and wavelet transform(WT),coupled with multimodal pore extraction techniques such as threshold segmentation,top-hat transformation,and membrane enhancement,we successfully crafted accurate digital rock models.The improved box-counting method was then applied to analyze the voxel data of these digital rocks,accurately calculating the fractal dimensions of the rock pore distribution.Further numerical simulations of permeability experiments were conducted to explore the physical correlations between the rock pore fractal dimensions,porosity,and absolute permeability.The results reveal that rocks with higher fractal dimensions exhibit more complex pore connectivity pathways and a wider,more uneven pore distribution,suggesting that the ideal rock samples should possess lower fractal dimensions and higher effective porosity rates to achieve optimal fluid transmission properties.The methodology and conclusions of this study provide new tools and insights for the quantitative analysis of complex pores in rocks and contribute to the exploration of the fractal transport properties of media within rocks.展开更多
Aiming at the problemthat the traditional short-circuit current calculationmethod is not applicable to Distributed Generation(DG)accessing the distribution network,the paper proposes a short-circuit current partitioni...Aiming at the problemthat the traditional short-circuit current calculationmethod is not applicable to Distributed Generation(DG)accessing the distribution network,the paper proposes a short-circuit current partitioning calculation method considering the degree of voltage drop at the grid-connected point of DG.Firstly,the output characteristics of DG in the process of low voltage ride through are analyzed,and the equivalent output model of DG in the fault state is obtained.Secondly,by studying the network voltage distribution law after fault in distribution networks under different DG penetration rates,the degree of voltage drop at the grid-connected point of DG is used as a partition index to partition the distribution network.Then,iterative computation is performed within each partition,and data are transferred between partitions through split nodes to realize the fast partition calculation of short-circuit current for high proportion DG access to distribution network,which solves the problems of long iteration time and large calculation error of traditional short-circuit current.Finally,a 62-node real distribution network model containing a high proportion of DG access is constructed onMATLAB/Simulink,and the simulation verifies the effectiveness of the short-circuit current partitioning calculation method proposed in the paper,and its calculation speed is improved by 48.35%compared with the global iteration method.展开更多
The forging stage of rail flash welding has a decisive influence on joint strength,and the study of the temperature distribution in the process has an important role in further improving joint strength.In this paper,t...The forging stage of rail flash welding has a decisive influence on joint strength,and the study of the temperature distribution in the process has an important role in further improving joint strength.In this paper,three calculation methods for the temperature field are given.First,the finite element model of the temperature field before forging rail flash welding is established by using the transient heat module of Ansys software and verified by infrared temperature measurement.Second,the temperature distribution of different parts of the rail before flash welding is obtained by using infrared thermal imaging equipment.Third,Matlab software is used to calculate the temperature of the non-measured part.Finally,the temperature distribution function along the rail axis is fitted through the temperature measurement data.The temperature distribution before the top forging of the rail flash welding can be used to analyze the joint and heat-affected zone organization and properties effectively and to guide the parameter setting and industrial production.展开更多
The dimensional accuracy of machined parts is strongly influenced by the thermal behavior of machine tools (MT). Minimizing this influence represents a key objective for any modern manufacturing industry. Thermally in...The dimensional accuracy of machined parts is strongly influenced by the thermal behavior of machine tools (MT). Minimizing this influence represents a key objective for any modern manufacturing industry. Thermally induced positioning error compensation remains the most effective and practical method in this context. However, the efficiency of the compensation process depends on the quality of the model used to predict the thermal errors. The model should consistently reflect the relationships between temperature distribution in the MT structure and thermally induced positioning errors. A judicious choice of the number and location of temperature sensitive points to represent heat distribution is a key factor for robust thermal error modeling. Therefore, in this paper, the temperature sensitive points are selected following a structured thermomechanical analysis carried out to evaluate the effects of various temperature gradients on MT structure deformation intensity. The MT thermal behavior is first modeled using finite element method and validated by various experimentally measured temperature fields using temperature sensors and thermal imaging. MT Thermal behavior validation shows a maximum error of less than 10% when comparing the numerical estimations with the experimental results even under changing operation conditions. The numerical model is used through several series of simulations carried out using varied working condition to explore possible relationships between temperature distribution and thermal deformation characteristics to select the most appropriate temperature sensitive points that will be considered for building an empirical prediction model for thermal errors as function of MT thermal state. Validation tests achieved using an artificial neural network based simplified model confirmed the efficiency of the proposed temperature sensitive points allowing the prediction of the thermally induced errors with an accuracy greater than 90%.展开更多
In this paper, a method of transforming volume integrals to boundary integrals is given for complicated loadings such as a i(y)x i and b i(x)y i . In the present method the volume in...In this paper, a method of transforming volume integrals to boundary integrals is given for complicated loadings such as a i(y)x i and b i(x)y i . In the present method the volume integrals are approximately transformed to boundary integrals.展开更多
With the extensive application of large-scale array antennas,the increasing number of array elements leads to the increasing dimension of received signals,making it difficult to meet the real-time requirement of direc...With the extensive application of large-scale array antennas,the increasing number of array elements leads to the increasing dimension of received signals,making it difficult to meet the real-time requirement of direction of arrival(DOA)estimation due to the computational complexity of algorithms.Traditional subspace algorithms require estimation of the covariance matrix,which has high computational complexity and is prone to producing spurious peaks.In order to reduce the computational complexity of DOA estimation algorithms and improve their estimation accuracy under large array elements,this paper proposes a DOA estimation method based on Krylov subspace and weighted l_(1)-norm.The method uses the multistage Wiener filter(MSWF)iteration to solve the basis of the Krylov subspace as an estimate of the signal subspace,further uses the measurement matrix to reduce the dimensionality of the signal subspace observation,constructs a weighted matrix,and combines the sparse reconstruction to establish a convex optimization function based on the residual sum of squares and weighted l_(1)-norm to solve the target DOA.Simulation results show that the proposed method has high resolution under large array conditions,effectively suppresses spurious peaks,reduces computational complexity,and has good robustness for low signal to noise ratio(SNR)environment.展开更多
文摘Massive amounts of data are acquired in modern and future information technology industries such as communication,radar,and remote sensing.The presence of large dimensionality and size in these data offers new opportunities to enhance the performance of signal processing in such applications and even motivate new ones.However,the curse of dimensionality is always a challenge when processing such high-dimensional signals.In practical tasks,high-dimensional signals need to be acquired,processed,and analyzed with high accuracy,robustness,and computational efficiency.This special section aims to address these challenges,where articles attempt to develop new theories and methods that are best suited to the high dimensional nature of the signals involved,and explore modern and emerging applications in this area.
基金financial support from the National Natural Science Foundation of China (Grant No. 12227901)the financial support from the National Natural Science Foundation of China (Grant Nos. 11974263 and 12174291)。
文摘We report a linear-scaling random Green's function(rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projecting onto Krylov subspace. With the rGF method, the Fermi–Dirac operator can be obtained directly, avoiding the polynomial expansion to Fermi–Dirac function. To demonstrate the applicability, we implement the rGF method with the density-functional tight-binding method. It is shown that the Krylov subspace can maintain at small size for materials with different gaps at zero temperature, including H_(2)O and Si clusters. We find with a simple deflation technique that the rGF self-consistent calculation of H_(2)O clusters at T = 0 K can reach an error of~ 1 me V per H_(2)O molecule in total energy, compared to deterministic calculations. The rGF method provides an effective stochastic method for large-scale electronic structure simulation.
文摘To solve the inaccuracy problem caused by the two existing methods (averageend-area method and prismoidal method) used for the calculation of roadway earthwork volume, thispaper puts forward a new concept of the 3-dimensional algorithm that takes all the roadway geometricdesign procedures as a kind of geometrical operation between the ground model (original terrainmodel) and the roadway model (designed model) under certain constraints, and then presents acomplete 3-dimensional algorithm of roadway earthwork volume as well as its executable computerprogram. The algorithm benefits from the re-triangulation technique of constrained delaunaytriangulation (CDT), which can yield a true volume value theoretically. Through a number ofpractical testscovering varied intervals between adjacent cross sections, it is proven to possess ahigher accuracy compared with that of traditional methods. All the work involved in this paperindicates that the 3-dimensional calculation of roadway earthwork volumeis feasible, more accurateand should have further application in practice.
基金the National Natural Science Foundation of China(Grant No.12004439)Hunan Province Postgraduate Research and Innovation Project(Grant No.CX20230229)the computational resources from the High Performance Computing Center of Central South University.
文摘Unconventional antiferromagnetism dubbed as altermagnetism was first discovered in rutile structured magnets,which is featured by spin splitting even without the spin–orbital coupling effect.This interesting phenomenon has been discovered in more altermagnetic materials.In this work,we explore two-dimensional altermagnetic materials by studying two series of two-dimensional magnets,including MF4 with M covering all 3d and 4d transition metal elements,as well as TS2 with T=V,Cr,Mn,Fe.Through the magnetic symmetry operation of RuF4 and MnS2,it is verified that breaking the time inversion is a necessary condition for spin splitting.Based on symmetry analysis and first-principles calculations,we find that the electronic bands and magnon dispersion experience alternating spin splitting along the same path.This work paves the way for exploring altermagnetism in two-dimensional materials.
基金the National Natural Science Foundation of China(Grant No.12104234)the Natural Science Foundation of Jiangsu Province,China(Grant Nos.BK20210578,20KJB140004,and JSSCBS20210513)+4 种基金Y Pu acknowledges the National Natural Science Foundation of China(Grant Nos.61874060,U1932159,and 61911530220Jiangsu Specially-Appointed Professor Program,the Natural Science Foundation of Jiangsu Province,China(Grant Nos.BK20181388 and 19KJA180007)the Overseas Researcher Innovation Program of Nanjing,NUPTSF(Grant No.NY217118)F Li Acknowledges the Natural Science Fund for Colleges and Universities in Jiangsu Province,China(Grant No.21KJD140005)the National Natural Science Foundation of China(Grant No.12304085).
文摘The two-dimensional(2D)Janus monolayers are promising in spintronic device application due to their enhanced magnetic couplings and Curie temperatures.Van der Waals CrCl_(3) monolayer has been experimentally proved to have an in-plane magnetic easy axis and a low Curie temperature of 17 K,which will limit its application in spintronic devices.In this work,we propose a new Janus monolayer Cr_(2)Cl_(3)S_(3) based on the first principles calculations.The phonon dispersion and elastic constants confirm that Janus monolayer Cr_(2)Cl_(3)S_(3) is dynamically and mechanically stable.Our Monte Carlo simulation results based on magnetic exchange constants reveal that Janus monolayer Cr_(2)Cl_(3)S_(3) is an intrinsic ferromagnetic semiconductor with TC of 180 K,which is much higher than that of CrCl_(3) due to the enhanced ferromagnetic coupling caused by S substitution.Moreover,the magnetic easy axis of Janus Cr_(2)Cl_(3)S_(3) can be tuned to the perpendicular direction with a large magnetic anisotropy energy(MAE)of 142eV/Cr.Furthermore,the effect of biaxial strain on the magnetic property of Janus monolayer Cr_(2)Cl_(3)S_(3) is evaluated.It is found that the Curie temperature is more robust under tensile strain.This work indicates that the Janus monolayer Cr_(2)Cl_(3)S_(3) presents increased Curie temperature and out-of-plane magnetic easy axis,suggesting greater application potential in 2D spintronic devices.
基金Project supported by the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No.XDA25051000)the National Natural Science Foundation of China (Grant No.11574390)。
文摘This paper introduces and establishes a quasi-three-dimensional physical model of the interaction between a laser and a slab target.In contrast to previous one-dimensional analytical models,this paper innovatively fits the real laser conditions based on an isothermal,homogeneous expansion similarity solution of the ideal hydrodynamic equations.Using this simple model,the evolution law and analytical formulae for key parameters(e.g.,temperature,density and scale length)in the corona region under certain conditions are given.The analytical solutions agree well with the relevant results of computational hydrodynamics simulation.For constant laser irradiation,the analytical solutions provide a meaningful power-law scaling relationship.The model provides a set of mathematical and physical tools that give theoretical support for adjusting parameters in experiments.
基金Guangdong Basic and Applied Basic Research Foundation,Grant/Award Number:2023A1515012878Natural Science Foundation of Anhui Province,Grant/Award Number:2008085ME134+2 种基金Australian Research Council Discovery Projects,Grant/Award Numbers:ARC DP200103315,ARC DP200103332Major Special Science and Technology Project of Anhui Province,Grant/Award Number:202103a07020007Key Research and Development Program of Anhui Province,Grant/Award Number:202104a05020057。
文摘Ni-Fe-based oxides are among the most promising catalysts developed to date for the bottleneck oxygen evolution reaction(OER)in water electrolysis.However,understanding and mastering the synergy of Ni and Fe remain challenging.Herein,we report that the synergy between Ni and Fe can be tailored by crystal dimensionality of Ni,Fe-contained Ruddlesden-Popper(RP)-type perovskites(La_(0.125)Sr_(0.875))n+1(Ni_(0.25)Fe_(0.75))nO3n+1(n=1,2,3),where the material with n=3 shows the best OER performance in alkaline media.Soft X-ray absorption spectroscopy spectra before and after OER reveal that the material with n=3 shows enhanced Ni/Fe-O covalency to boost the electron transfer as compared to those with n=1 and n=2.Further experimental investigations demonstrate that the Fe ion is the active site and the Ni ion is the stable site in this system,where such unique synergy reaches the optimum at n=3.Besides,as n increases,the proportion of unstable rock-salt layers accordingly decreases and the leaching of ions(especially Sr^(2+))into the electrolyte is suppressed,which induces a decrease in the leaching of active Fe ions,ultimately leading to enhanced stability.This work provides a new avenue for rational catalyst design through the dimensional strategy.
基金financial support from the National Natural Science Foundation of China(21676036)the Natural Science Foundation of Chongqing(CSTB2023NSCQ-MSX0580)the Graduate Research and Innovation Foundation of Chongqing(CYS-20040)。
文摘As a new generation electrode materials for energy storage,perovskites have attracted wide attention because of their unique crystal structure,reversible active sites,rich oxygen vacancies,and good stability.In this review,the design and engineering progress of perovskite materials for supercapacitors(SCs)in recent years is summarized.Specifically,the review will focus on four types of perovskites,perovskite oxides,halide perovskites,fluoride perovskites,and multi-perovskites,within the context of their intrinsic structure and corresponding electrochemical performance.A series of experimental variables,such as synthesis,crystal structure,and electrochemical reaction mechanism,will be carefully analyzed by combining various advanced characterization techniques and theoretical calculations.The applications of these materials as electrodes are then featured for various SCs.Finally,we look forward to the prospects and challenges of perovskite-type SCs electrodes,as well as the future research direction.
基金supported by the National Key Research and Development Program of China[grant No.2018YFB2001800]National Natural Science Foundation of China[grant No.51871184]Dalian High-level Talents Innovation Support Program[grant No.2021RD06]。
文摘Based on experiments and first-principles calculations,the microstructures and mechanical properties of as-cast and solution treated Mg-10Gd-4Y-xZn-0.6Zr(x=0,1,2,wt.%)alloys are investigated.The transformation process of long-period stacking ordered(LPSO)structure during solidification and heat treatment and its effect on the mechanical properties of experimental alloys are discussed.Results reveal that the stacking faults and 18R LPSO phases appear in the as-cast Mg-10Gd-4Y-1Zn-0.6Zr and Mg-10Gd-4Y-2Zn-0.6Zr alloys,respectively.After solution treatment,the stacking faults and 18R LPSO phase transform into 14H LPSO phase.The Enthalpies of formation and reaction energy of 14H and 18R LPSO are calculated based on first-principles.Results show that the alloying ability of 18R is stronger than that of 14H.The reaction energies show that the 14H LPSO phase is more stable than the 18R LPSO.The elastic properties of the 14H and 18R LPSO phases are also evaluated by first-principles calculations,and the results are in good agreement with the experimental results.The precipitation of LPSO phase improves the tensile strength,yield strength and elongation of the alloy.After solution treatment,the Mg-10Gd-4Y-2Zn-0.6Zr alloy has the best mechanical properties,and its ultimate tensile strength and yield strength are 278.7 MPa and 196.4 MPa,respectively.The elongation of Mg-10Gd-4Y-2Zn-0.6Zr reaches 15.1,which is higher than that of Mg-10Gd-4Y0.6Zr alloy.The improving mechanism of elastic modulus by the LPSO phases and the influence on the alloy mechanical properties are also analyzed.
基金Project supported by Taishan Scholar Program of Shandong Province (Grant No.ts20190939)Independent Cultivation Program of Innovation Team of Jinan City (Grant No.2021GXRC043)the National Natural Science Foundation of China (Grant No.52173283)。
文摘We propose a scheme for realizing the spin direction-dependent quantum anomalous Hall effect(QAHE)driven by spin-orbit couplings(SOC)in two-dimensional(2D)materials.Based on the sp^(3)tight-binding(TB)model,we find that these systems can exhibit a QAHE with out-of-plane and in-plane magnetization for the weak and strong SOC,respectively,in which the mechanism of quantum transition is mainly driven by the band inversion of p_(x,y)/p_(z)orbitals.As a concrete example,based on first-principles calculations,we realize a real material of monolayer 1T-SnN_(2)/PbN_(2)exhibiting the QAHE with in-plane/out-of-plane magnetization characterized by the nonzero Chern number C and topological edge states.These findings provide useful guidance for the pursuit of a spin direction-dependent QAHE and hence stimulate immediate experimental interest.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.12275144,12235007,and 11975131)K.C.Wong Magna Fund in Ningbo University。
文摘Integrable systems play a crucial role in physics and mathematics.In particular,the traditional(1+1)-dimensional and(2+1)-dimensional integrable systems have received significant attention due to the rarity of integrable systems in higher dimensions.Recent studies have shown that abundant higher-dimensional integrable systems can be constructed from(1+1)-dimensional integrable systems by using a deformation algorithm.Here we establish a new(2+1)-dimensional Chen-Lee-Liu(C-L-L)equation using the deformation algorithm from the(1+1)-dimensional C-L-L equation.The new system is integrable with its Lax pair obtained by applying the deformation algorithm to that of the(1+1)-dimension.It is challenging to obtain the exact solutions for the new integrable system because the new system combines both the original C-L-L equation and its reciprocal transformation.The traveling wave solutions are derived in implicit function expression,and some asymmetry peakon solutions are found.
文摘For the first time, for different organic and inorganic compounds possessing the plastic crystalline phase, a new semiempirical equation describing dependence of their fusion enthalpies on such physico-chemical quantities as normal melting temperature, surface tension, molar volume and critical molar volume is received on the base of the principle of corresponding states and the energy equipartition theorem. Moreover, the proposed equation allows one to take into account the particularities of one-particle molecular rotation in the plastic crystalline phase.
基金supported by the Natural Science Foundation of China under Grant U22A20214 and Grant 51837010。
文摘A versatile analytical method(VAM) for calculating the harmonic components of the magnetomotive force(MMF) generated by diverse armature windings in AC machines has been proposed, and the versatility of this method has been established in early literature. However, its practical applications and significance in advancing the analysis of AC machines need further elaboration. This paper aims to complement VAM by augmenting its theory, offering additional insights into its conclusions, as well as demonstrating its utility in assessing armature windings and its application of calculating torque for permanent magnet synchronous machines(PMSM). This work contributes to advancing the analysis of AC machines and underscores the potential for improved design and performance optimization.
基金supported by the Research Funds of Institute of Zhejiang University-Quzhou(IZQ2023RCZX032)the Natural Science Foundation of Guangdong Province(2022A1515010185)+1 种基金the Fundamental Research Funds for the Central Universities(FRF-TP-20-005A3)partially supported by the Special Funds for Postdoctoral Research at Tsinghua University(100415017)。
文摘Electrocatalytic water splitting is crucial for H2generation via hydrogen evolution reaction(HER)but subject to the sluggish dynamics of oxygen evolution reaction(OER).In this work,single Fe atomdoped MoS_(2)nanosheets(SFe-DMNs)were prepared based on the high-throughput density functional theory(DFT)calculation screening.Due to the synergistic effect between Fe atom and MoS_(2)and optimized intermediate binding energy,the SFe-DMNs could deliver outstanding activity for both HER and OER.When assembled into a two-electrode electrolytic cell,the SFe-DMNs could achieve the current density of 50 mA cm^(-2)at a low cell voltage of 1.55 V under neutral condition.These results not only confirmed the effectiveness of high-throughput screening,but also revealed the excellent activity and thus the potential applications in fuel cells of SFe-DMNs.
基金supported by the National Natural Science Foundation of China (Nos.52374078 and 52074043)the Fundamental Research Funds for the Central Universities (No.2023CDJKYJH021)。
文摘Fractal theory offers a powerful tool for the precise description and quantification of the complex pore structures in reservoir rocks,crucial for understanding the storage and migration characteristics of media within these rocks.Faced with the challenge of calculating the three-dimensional fractal dimensions of rock porosity,this study proposes an innovative computational process that directly calculates the three-dimensional fractal dimensions from a geometric perspective.By employing a composite denoising approach that integrates Fourier transform(FT)and wavelet transform(WT),coupled with multimodal pore extraction techniques such as threshold segmentation,top-hat transformation,and membrane enhancement,we successfully crafted accurate digital rock models.The improved box-counting method was then applied to analyze the voxel data of these digital rocks,accurately calculating the fractal dimensions of the rock pore distribution.Further numerical simulations of permeability experiments were conducted to explore the physical correlations between the rock pore fractal dimensions,porosity,and absolute permeability.The results reveal that rocks with higher fractal dimensions exhibit more complex pore connectivity pathways and a wider,more uneven pore distribution,suggesting that the ideal rock samples should possess lower fractal dimensions and higher effective porosity rates to achieve optimal fluid transmission properties.The methodology and conclusions of this study provide new tools and insights for the quantitative analysis of complex pores in rocks and contribute to the exploration of the fractal transport properties of media within rocks.
基金funded by the National Natural Science Foundation of China(52077004)Anhui Electric Power Company of the State Grid(52120021N00L).
文摘Aiming at the problemthat the traditional short-circuit current calculationmethod is not applicable to Distributed Generation(DG)accessing the distribution network,the paper proposes a short-circuit current partitioning calculation method considering the degree of voltage drop at the grid-connected point of DG.Firstly,the output characteristics of DG in the process of low voltage ride through are analyzed,and the equivalent output model of DG in the fault state is obtained.Secondly,by studying the network voltage distribution law after fault in distribution networks under different DG penetration rates,the degree of voltage drop at the grid-connected point of DG is used as a partition index to partition the distribution network.Then,iterative computation is performed within each partition,and data are transferred between partitions through split nodes to realize the fast partition calculation of short-circuit current for high proportion DG access to distribution network,which solves the problems of long iteration time and large calculation error of traditional short-circuit current.Finally,a 62-node real distribution network model containing a high proportion of DG access is constructed onMATLAB/Simulink,and the simulation verifies the effectiveness of the short-circuit current partitioning calculation method proposed in the paper,and its calculation speed is improved by 48.35%compared with the global iteration method.
基金supported by the China National Railway Group Corporation Science and Technology Research and Development Program(J2022G009)Dr.Jingjing Li received no grant support.
文摘The forging stage of rail flash welding has a decisive influence on joint strength,and the study of the temperature distribution in the process has an important role in further improving joint strength.In this paper,three calculation methods for the temperature field are given.First,the finite element model of the temperature field before forging rail flash welding is established by using the transient heat module of Ansys software and verified by infrared temperature measurement.Second,the temperature distribution of different parts of the rail before flash welding is obtained by using infrared thermal imaging equipment.Third,Matlab software is used to calculate the temperature of the non-measured part.Finally,the temperature distribution function along the rail axis is fitted through the temperature measurement data.The temperature distribution before the top forging of the rail flash welding can be used to analyze the joint and heat-affected zone organization and properties effectively and to guide the parameter setting and industrial production.
文摘The dimensional accuracy of machined parts is strongly influenced by the thermal behavior of machine tools (MT). Minimizing this influence represents a key objective for any modern manufacturing industry. Thermally induced positioning error compensation remains the most effective and practical method in this context. However, the efficiency of the compensation process depends on the quality of the model used to predict the thermal errors. The model should consistently reflect the relationships between temperature distribution in the MT structure and thermally induced positioning errors. A judicious choice of the number and location of temperature sensitive points to represent heat distribution is a key factor for robust thermal error modeling. Therefore, in this paper, the temperature sensitive points are selected following a structured thermomechanical analysis carried out to evaluate the effects of various temperature gradients on MT structure deformation intensity. The MT thermal behavior is first modeled using finite element method and validated by various experimentally measured temperature fields using temperature sensors and thermal imaging. MT Thermal behavior validation shows a maximum error of less than 10% when comparing the numerical estimations with the experimental results even under changing operation conditions. The numerical model is used through several series of simulations carried out using varied working condition to explore possible relationships between temperature distribution and thermal deformation characteristics to select the most appropriate temperature sensitive points that will be considered for building an empirical prediction model for thermal errors as function of MT thermal state. Validation tests achieved using an artificial neural network based simplified model confirmed the efficiency of the proposed temperature sensitive points allowing the prediction of the thermally induced errors with an accuracy greater than 90%.
文摘In this paper, a method of transforming volume integrals to boundary integrals is given for complicated loadings such as a i(y)x i and b i(x)y i . In the present method the volume integrals are approximately transformed to boundary integrals.
基金supported by the National Basic Research Program of China。
文摘With the extensive application of large-scale array antennas,the increasing number of array elements leads to the increasing dimension of received signals,making it difficult to meet the real-time requirement of direction of arrival(DOA)estimation due to the computational complexity of algorithms.Traditional subspace algorithms require estimation of the covariance matrix,which has high computational complexity and is prone to producing spurious peaks.In order to reduce the computational complexity of DOA estimation algorithms and improve their estimation accuracy under large array elements,this paper proposes a DOA estimation method based on Krylov subspace and weighted l_(1)-norm.The method uses the multistage Wiener filter(MSWF)iteration to solve the basis of the Krylov subspace as an estimate of the signal subspace,further uses the measurement matrix to reduce the dimensionality of the signal subspace observation,constructs a weighted matrix,and combines the sparse reconstruction to establish a convex optimization function based on the residual sum of squares and weighted l_(1)-norm to solve the target DOA.Simulation results show that the proposed method has high resolution under large array conditions,effectively suppresses spurious peaks,reduces computational complexity,and has good robustness for low signal to noise ratio(SNR)environment.