Asymmetric tilt boundaries on conventional twin boundaries(TBs)are significant for understanding the role of twins on coordinating plastic deformation in many metallic alloys.However,the formation modes of many asymme...Asymmetric tilt boundaries on conventional twin boundaries(TBs)are significant for understanding the role of twins on coordinating plastic deformation in many metallic alloys.However,the formation modes of many asymmetric tilt boundaries are hard to be accounted for based on traditional theoretical models,and the corresponding solute segregation is complex.Herein,atomic structures of a specific asymmetric boundary on{1012}TBs were reveled using aberration-corrected high-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM),molecular dynamics(MD)and density functional theory(DFT)simulations.Reaction between<a60>M dislocations and the{1012}TB can generate a~61°/25°asymmetric tilt boundary.The segregation of Gd and Zn atoms is closely related to the aggregateddislocations and the interfacial interstices of the asymmetric tilt boundary,which is energetically favorable in reducing the total system energy.展开更多
A large-scale view of the magnetospheric cusp is expected to be obtained by the Soft X-ray Imager(SXI)onboard the Solar wind Magnetosphere Ionosphere Link Explorer(SMILE).However,it is challenging to trace the three-d...A large-scale view of the magnetospheric cusp is expected to be obtained by the Soft X-ray Imager(SXI)onboard the Solar wind Magnetosphere Ionosphere Link Explorer(SMILE).However,it is challenging to trace the three-dimensional cusp boundary from a two-dimensional X-ray image because the detected X-ray signals will be integrated along the line of sight.In this work,a global magnetohydrodynamic code was used to simulate the X-ray images and photon count images,assuming an interplanetary magnetic field with a pure Bz component.The assumption of an elliptic cusp boundary at a given altitude was used to trace the equatorward and poleward boundaries of the cusp from a simulated X-ray image.The average discrepancy was less than 0.1 RE.To reduce the influence of instrument effects and cosmic X-ray backgrounds,image denoising was considered before applying the method above to SXI photon count images.The cusp boundaries were reasonably reconstructed from the noisy X-ray image.展开更多
THE mechanical response and deformation mechanisms of pure nickel under nanoindentation were systematically investigated using molecular dynamics(MD)simulations,with a particular focus on the novel interplay between c...THE mechanical response and deformation mechanisms of pure nickel under nanoindentation were systematically investigated using molecular dynamics(MD)simulations,with a particular focus on the novel interplay between crystallographic orientation,grain boundary(GB)proximity,and pore characteristics(size/location).This study compares single-crystal nickel models along[100],[110],and[111]orientations with equiaxed polycrystalline models containing 0,1,and 2.5 nm pores in surface and subsurface configurations.Our results reveal that crystallographic anisotropy manifests as a 24.4%higher elastic modulus and 22.2%greater hardness in[111]-oriented single crystals compared to[100].Pore-GB synergistic effects are found to dominate the deformation behavior:2.5 nm subsurface pores reduce hardness by 25.2%through stress concentration and dislocation annihilation at GBs,whereas surface pores enable mechanical recovery via accelerated dislocation generation post-collapse.Additionally,size-dependent deformation regimes were identified,with 1 nm pores inducing negligible perturbation due to rapid atomic rearrangement,in contrast with persistent softening in 2.5 nm pores.These findings establish atomic-scale design principles for defect engineering in nickel-based aerospace components,demonstrating how crystallographic orientation,pore configuration,and GB interactions collectively govern nanoindentation behavior.展开更多
This study introduces a new ocean surface friction velocity scheme and a modified Thompson cloud microphysics parameterization scheme into the CMA-TYM model.The impact of these two parameterization schemes on the pred...This study introduces a new ocean surface friction velocity scheme and a modified Thompson cloud microphysics parameterization scheme into the CMA-TYM model.The impact of these two parameterization schemes on the prediction of the movement track and intensity of Typhoon Kompasu in 2021 is examined.Additionally,the possible reasons for their effects on tropical cyclone(TC)intensity prediction are analyzed.Statistical results show that both parameterization schemes improve the predictions of Typhoon Kompasu’s track and intensity.The influence on track prediction becomes evident after 60 h of model integration,while the significant positive impact on intensity prediction is observed after 66 h.Further analysis reveals that these two schemes affect the timing and magnitude of extreme TC intensity values by influencing the evolution of the TC’s warm-core structure.展开更多
The moving morphable component(MMC)topology optimization method,as a typical explicit topology optimization method,has been widely concerned.In the MMC topology optimization framework,the surrogate material model is m...The moving morphable component(MMC)topology optimization method,as a typical explicit topology optimization method,has been widely concerned.In the MMC topology optimization framework,the surrogate material model is mainly used for finite element analysis at present,and the effectiveness of the surrogate material model has been fully confirmed.However,there are some accuracy problems when dealing with boundary elements using the surrogate material model,which will affect the topology optimization results.In this study,a boundary element reconstruction(BER)model is proposed based on the surrogate material model under the MMC topology optimization framework to improve the accuracy of topology optimization.The proposed BER model can reconstruct the boundary elements by refining the local meshes and obtaining new nodes in boundary elements.Then the density of boundary elements is recalculated using the new node information,which is more accurate than the original model.Based on the new density of boundary elements,the material properties and volume information of the boundary elements are updated.Compared with other finite element analysis methods,the BER model is simple and feasible and can improve computational accuracy.Finally,the effectiveness and superiority of the proposed method are verified by comparing it with the optimization results of the original surrogate material model through several numerical examples.展开更多
Cobalt-free LiNiO_(2)(LNO)is considered a promising cathode for its high energy density and costeffectiveness.However,its structural instability under deep delithiation severely limits practical application in nextgen...Cobalt-free LiNiO_(2)(LNO)is considered a promising cathode for its high energy density and costeffectiveness.However,its structural instability under deep delithiation severely limits practical application in nextgeneration batteries.Herein,we propose a high-valence Mo6+doping strategy to simultaneously improve mechanical robustness and electrochemical stability.By stabilizing intergranular interfaces,this method effectively suppresses mechanical degradation induced by lattice strain under deep delithiation.The modified cathode exhibits exceptional electrochemical performance,achieving a specific capacity of 234 mAh·g^(-1)at 0.1 C with 83.4% retention over 100 cycles at 45℃ in lithium-ion batteries(LIBs).Notably,it maintains comparable efficacy in all-solid-state batteries(ASSBs),delivering 239 mAh·g^(-1)at 0.05 C and 82.8% retention after 300 cycles.Density functional theory(DFT)calculations demonstrate a pronounced rise in oxygen vacancy formation energy,increasing from 1.42 to 3.27 eV.These findings offer valuable insights into overcoming the kinetic performance limitations of cobalt-free LNO under deep delithiation conditions.展开更多
The operational efficiency of membrane electrode assemblies in direct liquid fuel cells is critically dependent on the fuel purity in the anode compartment.To address the inherent challenge of fuel mixing problem in a...The operational efficiency of membrane electrode assemblies in direct liquid fuel cells is critically dependent on the fuel purity in the anode compartment.To address the inherent challenge of fuel mixing problem in alcohol systems,we propose a rational catalyst design strategy focusing on morphological and compositional optimization.Sodium borohydride-derived PtCuMo alloy aerogels(AA)exhibit abundant grain boundary defects,while solvothermally prepared nanowire arrays(NA)maintain excellent single-crystalline characteristics.Density functional theory calculations demonstrate that engineered grain boundaries can effectively broaden the adsorption energy window for key reaction intermediates,enabling superior adaptability to diverse catalytic pathways.By precisely controlling Cu content,we identified Pt_(3)Cu_(3)Mo_(0.5)AA as the optimal catalyst configuration,demonstrating 150% enhancement in methanol oxidation reaction activity compared to Pt_(3)Cu_(6)Mo_(0.5)NA(1.5 vs.0.6 A·mg_(Pt)^(-1))and 17% improvement in ethanol oxidation reaction performance versus Pt_(3)Cu_(1)Mo_(0.5)NA(0.82 vs.0.70 A·mg_(Pt)^(-1)).Practical application testing using gas diffusion electrodes(anode loading:0.85 mg_(Pt)·cm^(-2))achieved a mass-specific power density of 14.14 W·g_(Pt)^(-1)in 1:1 methanol/ethanol blends,representing a 3.5-fold improvement over commercial Pt/C benchmarks.This work establishes a fundamental framework for developing highperformance,broad-spectrum electrocatalysts in advanced fuel cell systems.展开更多
In conventional higher-order topological insulators(HOTIs),the emergence of topological states can be explained by using the nonzero bulk polarization index.However,corner states emerge in HOTIs with incomplete bounda...In conventional higher-order topological insulators(HOTIs),the emergence of topological states can be explained by using the nonzero bulk polarization index.However,corner states emerge in HOTIs with incomplete boundary unit cells(i.e.,boundary defects)even though the bulk polarization is zero,which challenges the conventional understanding of HOTIs.Here,based on a Kekul´e-distorted honeycomb lattice with incomplete unit cells,we reveal that incomplete unit cells exhibit fractional charges through the analysis of Wannier centers by developing a compensation method and creating the concept of Wannier center domain(WCD)which is the smallest region that one Wannier center occupies.This method compensates for the missing parts of these boundary incomplete unit cells with additional WCDs to make them complete.The compensated WCDs automatically carry the corresponding charge,and this charge together with that of the incomplete unit cell constitutes the total charge of the complete unit cell after compensation.We conclude that the emergence of corner states is attributed to the filling anomaly,which is a fundamental mechanism.Our results refresh the understanding of HOTIs,especially those with structural discontinuities,and provide a novel design for topological states which have application value in producing optical functional devices.展开更多
Hot compression tests were conducted in a temperature range of 800--1100 ℃and strain rate range of 0. 1- 10 s^-1 using a Gleeble 3500 thermomechanical simulator to investigate the influence of hot deformation paramet...Hot compression tests were conducted in a temperature range of 800--1100 ℃and strain rate range of 0. 1- 10 s^-1 using a Gleeble 3500 thermomechanical simulator to investigate the influence of hot deformation parameters （temperatures, strain rates and strains） on the grain boundary network evolution of a new grade Fe-Cr-Ni superaustenitic stainless steel. The results showed that a dominant effect of deformed temperature is ∑3^n （n = 0, 1, 2, 3） boundaries population increased with decreasing temperature, while they first increased and then reduced with in- creasing strain and strain rate. Interestingly, besides E3n （n = 1, 2, 3） twin grain boundaries, some El boundaries could interrupt grain boundaries network effectively, which enhance material performances. But they are scarcely re- ported. The misorientation of some segments LAGBs in the deformed microstructure （pancaked grains） increased and slid to high angle grain boundaries with increasing the fraction of reerystallized grains during hot deformation.展开更多
By focusing on impact-triggered phenomena having occurred synchronously with or shortly prior to formation boundaries, two glass sand pits (Upper Maastrichtian) located near Uhry, North Germany have been studied in re...By focusing on impact-triggered phenomena having occurred synchronously with or shortly prior to formation boundaries, two glass sand pits (Upper Maastrichtian) located near Uhry, North Germany have been studied in regard to the K/T boundary throughout the last 40 years during progressive exploitation of glass sand. However, a clastic sequence of sand, mass flow and pelite deposited in a deep channel of about 10 - 12 m in depth, eroded into the glass sand, surprisingly shows an Upper Eocene/Lower Oligocene age, well defined by a Dinocyst assemblage (Chiripteridium c. galea, Enneado cysta arcuata, Areoligera tauloma = D 12na - D 14na) from a 0.5 meter thick pelite that marks the Rupelian transgression within an estuarian system running northwest/southeastward. The section exposes a high energy mass flow and formerly solid frozen angular glass sand blocks of up to a meter-size embedded in fluvial sand of the channel base. Furthermore, erratic clastics of up to 0.4 meter in diameter appear at the pelite base. The “unusual” Dinocyst assemblage is of autochthonous origin and comprises the fresh water alga Pediastrum Kawraiskyias indicator for cold climate, hitherto only known from Quaternary. Missing pollen indicate a vegetation-less hinterland. Thus, there cannot be any doubt that around the E/O b. at least one “rare event” has happened as verified by short tremendous flooding and significant temperature fall (“cosmic winter”). According to the attitude of the global impact scientific community, these phenomena belong to the spectrum of “indirect effects” of major impacts. Radiometric ages of relevant major impact events underline that both impact craters of Popigai, Russia (100 Kilometer in diameter, 35.7 Ma) and Chesabreake, USA (85 Kilometer in diameter, 35.5 Ma) happened shortly before the E/O b.(33.75 Ma). In addition, a tektite strewn field along the eastern coast of the USA and micro-tektites (Gulf of Mexico, Caribbean Sea, Barbados) yield an age of ~34.4 Ma, close to the E/O b. Consequently, there does exist an extremely high probability that Uhry site hosts impact-triggered products at the E/O b. It should be stressed that the Upper Eocene Epoch comprises an amazingly high number of impact events during the time-span 34.2 - 37.0 Ma.展开更多
We study the initial-boundary value problem of the Navier-Stokes equations for incompressible fluids in a general domain in R^n with compact and smooth boundary,subject to the kinematic and vorticity boundary conditio...We study the initial-boundary value problem of the Navier-Stokes equations for incompressible fluids in a general domain in R^n with compact and smooth boundary,subject to the kinematic and vorticity boundary conditions on the non-flat boundary.We observe that,under the nonhomogeneous boundary conditions,the pressure p can be still recovered by solving the Neumann problem for the Poisson equation.Then we establish the well-posedness of the unsteady Stokes equations and employ the solution to reduce our initial-boundary value problem into an initial-boundary value problem with absolute boundary conditions.Based on this,we first establish the well-posedness for an appropriate local linearized problem with the absolute boundary conditions and the initial condition(without the incompressibility condition),which establishes a velocity mapping.Then we develop apriori estimates for the velocity mapping,especially involving the Sobolev norm for the time-derivative of the mapping to deal with the complicated boundary conditions,which leads to the existence of the fixed point of the mapping and the existence of solutions to our initial-boundary value problem.Finally,we establish that,when the viscosity coefficient tends zero,the strong solutions of the initial-boundary value problem in R^n(n≥3)with nonhomogeneous vorticity boundary condition converge in L^2 to the corresponding Euler equations satisfying the kinematic condition.展开更多
ZrC is a promising candidate for the application in ultra-high temperature regime due to its unique combination of excellent properties,such as high melting point,good chemical inertness and high temperature stability...ZrC is a promising candidate for the application in ultra-high temperature regime due to its unique combination of excellent properties,such as high melting point,good chemical inertness and high temperature stability.The rapid decrease of strength at high temperatures,however,is one of the obstacles that impedes its practical services.Strengthening of grain boundaries by solute segregation is believed to be an effective way to improve its high temperature performance.Therefore,the segregation tendency of ten solid solute atoms,including Sc,Ti,V,Cr,Y,Nb,Mo,Hf,Ta,W,in Zr C grain boundaries,and the strengthening/weakening effects on grain boundaries due to segregation are investigated by first-principles calculations.The segregation tendency is found dominated by the size effect,which is confirmed by both a qualitative analysis and a quantitative approach based on support vector regression.It means that big atoms tend to segregate to grain boundary sites with local expansions,while small atoms tend to segregate to grain boundary sites with local compressions.Simulations on stress-strain responses indicate that segregation of small atoms(Ti,V,Cr,Nb,Ta,Mo,W)can usually improve grain boundary strengths by inducing compression strains to grain boundaries,even though there is also an exception.In contrast,segregation of Sc and Y will soften grain boundaries.The results reveal that strengthening of grain boundaries by solute segregation is a valuable avenue to enhance high temperature mechanical properties of ZrC,providing guidelines for further design of ZrC based materials.展开更多
This paper demonstrates and analyses double heteroclinic tangency in a three-well potential model, which can produce three new types of bifurcations of basin boundaries including from smooth to Wada basin boundaries, ...This paper demonstrates and analyses double heteroclinic tangency in a three-well potential model, which can produce three new types of bifurcations of basin boundaries including from smooth to Wada basin boundaries, from fractal to Wada basin boundaries in which no changes of accessible periodic orbits happen, and from Wada to Wada basin boundaries. In a model of mechanical oscillator, it shows that a Wada basin boundary can be smooth.展开更多
In this paper, we developed the theory and algorithm of an elastic one-way boundary element method（BEM） and a corresponding hybrid elastic thin-slab propagator for earth media with sharp boundaries between strong co...In this paper, we developed the theory and algorithm of an elastic one-way boundary element method（BEM） and a corresponding hybrid elastic thin-slab propagator for earth media with sharp boundaries between strong contrast media. This approach can takes the advantage of accurate boundary condition of BEM and completely overcomes the weak contrast limitation of the perturbationtheory based one-way operator approach. The one-way BEM is a smooth boundary approximation, which avoids huge matrix operations in exact full BEM. In addition, the one-way BEM can model the primary-only transmitted and reflected waves and therefore is a valuable tool in elastic imaging and inversion. Through numerical tests for some simple models,we proved the validity and efficiency of the proposed method.展开更多
In order to better describe the phenomenon of biological invasion,this paper introduces a free boundary model of biological invasion.Firstly,the right free boundary is added to the equation with logistic terms.Secondl...In order to better describe the phenomenon of biological invasion,this paper introduces a free boundary model of biological invasion.Firstly,the right free boundary is added to the equation with logistic terms.Secondly,the existence and uniqueness of local solutions are proved by the Sobolev embedding theorem and the comparison principle.Finally,according to the relevant research data and contents of red fire ants,the diffusion area and nest number of red fire ants were simulated without external disturbance.This paper mainly simulates the early diffusion process of red fire ants.In the early diffusion stage,red fire ants grow slowly and then spread over a large area after reaching a certain number.展开更多
A hydrodynamic boundary condition for the lattice Boltzmann model at impermeable boundaries is developed.This boundary condition satisfies both the no-slip condition and the fluid conservation at boundary nodes.Poiseu...A hydrodynamic boundary condition for the lattice Boltzmann model at impermeable boundaries is developed.This boundary condition satisfies both the no-slip condition and the fluid conservation at boundary nodes.Poiseuille flow and Couette flow are calculated with this technique to demonstrate the accuracy of the present boundary condition.展开更多
Low-angle grain boundaries(LAGBs)are one of the solidification defects in single-crystal nickel-based superalloys and are detrimental to the mechanical properties.The formation of LAGBs is related to dendrite deformat...Low-angle grain boundaries(LAGBs)are one of the solidification defects in single-crystal nickel-based superalloys and are detrimental to the mechanical properties.The formation of LAGBs is related to dendrite deformation,while the mechanism has not been fully understood at the mesoscale.In this work,a model coupling dendrite growth,thermal-solutal-fluid flow,thermal stress and flow-induced dendrite deformation via cellular automaton-finite volume method and finite element method is developed to study the formation of LAGBs in single crystal superalloys.Results reveal that the bending of dendrites is primarily attributed to the thermal-solutal convection-induced dendrite deformation.The mechanical stress of dendrite deformation develops and stabilises as solidification proceeds.As the width of the mushy zone gets stable,stresses are built up and then dendritic elastoplastic bending occurs at some thin primary dendrites with the wider inter-dendritic space.There are three characteristic zones of stress distribution along the solidification direction:(i)no stress concentration in the fully solidified regions;(ii)stress developing in the primary dendrite bridging region,and(iii)stress decrease in the inter-dendritic uncontacted zone.The stresses reach maximum near the initial dendrite bridging position.The lower temperature gradients,the finer primary dendritic trunks and sudden reductions in local dendritic trunk radius jointly promote the elastoplastic deformation of the dendrites.Corresponding measures are suggested to reduce LAGBs.展开更多
Grain boundary diffusion technology is pivotal in the preparation of high-performance NdFeB magnets.This study investigates the factors that affect the efficiency of grain boundary diffusion,starting from the properti...Grain boundary diffusion technology is pivotal in the preparation of high-performance NdFeB magnets.This study investigates the factors that affect the efficiency of grain boundary diffusion,starting from the properties of the diffusion matrix.Through the adjustment of the sintering process,we effectively prepared magnets with varied densities that serve as the matrix for grain boundary diffusion with TbH,diffusion.The mobility characteristics of the Nd-rich phase during the densification stage are leveraged to ensure a more extensive distribution of heavy rare earth elements within the magnets.According to the experimental results,the increase in coercivity of low-density magnets after diffusion is significantly greater than that of relatively high-density magnets.The coercivity values measured are 805.32 kA/m for low-density magnets and 470.3 kA/m for high-density magnets.Additionally,grain boundary diffusion notably enhances the density of initial low-density magnets,addressing the issue of low density during the sintering stage.Before the diffusion treatment,the Nd-rich phases primarily concentrate at the triangular grain boundaries,resulting in an increased number of cavity defects in the magnets.These cavity defects contain atoms in a higher energy state,making them more prone to transition.Consequently,the diffusion activation energy at the void defects is lower than the intracrystalline diffusion activation energy,accelerating atom diffusion.The presence of larger cavities also provides more space for atom migration,thereby promoting the diffusion process.After the diffusion treatment,the proportion of bulk Nd-rich phases significantly decreases,and they infiltrate between the grains to fill the cavity defects,forming continuous fine grain boundaries.Based on these observations,the study aims to explore how to utilize this information to develop an efficient technique for grain boundary diffusion.展开更多
To explore the relationship between dynamic characteristics and wake patterns,numerical simulations were conducted on three equal-diameter cylinders arranged in an equilateral triangle.The simulations varied reduced v...To explore the relationship between dynamic characteristics and wake patterns,numerical simulations were conducted on three equal-diameter cylinders arranged in an equilateral triangle.The simulations varied reduced velocities and gap spacing to observe flow-induced vibrations(FIVs).The immersed boundary–lattice Boltzmann flux solver(IB–LBFS)was applied as a numerical solution method,allowing for straightforward application on a simple Cartesian mesh.The accuracy and rationality of this method have been verified through comparisons with previous numerical results,including studies on flow past three stationary circular cylinders arranged in a similar pattern and vortex-induced vibrations of a single cylinder across different reduced velocities.When examining the FIVs of three cylinders,numerical simulations were carried out across a range of reduced velocities(3.0≤Ur≤13.0)and gap spacing(L=3D,4D,and 5D).The observed vibration response included several regimes:the desynchronization regime,the initial branch,and the lower branch.Notably,the transverse amplitude peaked,and a double vortex street formed in the wake when the reduced velocity reached the lower branch.This arrangement of three cylinders proved advantageous for energy capture as the upstream cylinder’s vibration response mirrored that of an isolated cylinder,while the response of each downstream cylinder was significantly enhanced.Compared to a single cylinder,the vibration and flow characteristics of this system are markedly more complex.The maximum transverse amplitudes of the downstream cylinders are nearly identical and exceed those observed in a single-cylinder set-up.Depending on the gap spacing,the flow pattern varied:it was in-phase for L=3D,antiphase for L=4D,and exhibited vortex shedding for L=5D.The wake configuration mainly featured double vortex streets for L=3D and evolved into two pairs of double vortex streets for L=5D.Consequently,it well illustrates the coupling mechanism that dynamics characteristics and wake vortex change with gap spacing and reduced velocities.展开更多
Fast and accurate transient stability analysis is crucial to power system operation.With high penetration level of wind power resources,practical dynamic security region(PDSR)with hyper plane expression has outstandin...Fast and accurate transient stability analysis is crucial to power system operation.With high penetration level of wind power resources,practical dynamic security region(PDSR)with hyper plane expression has outstanding advantages in situational awareness and series of optimization problems.The precondition of obtaining accurate PDSR boundary is to locate sufficient points around the boundary(critical points).Therefore,this paper proposes a space division and Wasserstein generative adversarial network with gra-dient penalty(WGAN-GP)based fast generation method of PDSR boundary.First,the typical differential topological characterizations of dynamic security region(DSR)provide strong theoretical foundation that the interior of DSR is hole-free and the boundaries of DSR are tight and knot-free.Then,the space division method is proposed to calculate critical operation area where the PDSR boundary is located,tremen-dously compressing the search space to locate critical points and improving the confidence level of boundary fitting result.Furthermore,the WGAN-GP model is utilized to fast obtain large number of criti-cal points based on learning the data distribution of the small training set aforementioned.Finally,the PDSR boundary with hyperplanes is fitted by the least square method.The case study is tested on the Institute of Electrical and Electronics Engineers(IEEE)39-bus system and the results verify the accuracy and efficiency of the proposed method.展开更多
基金supported by the Scientific and Technological Developing Scheme of Jilin Province under grants no.YDZJ202301ZYTS538the Chinese Academy of Sciences Youth Innovation Promotion Association under grants number 2023234+3 种基金the National Natural Science Foundation of China under grants number U21A20323the Scientific and Technological Developing Scheme of Jilin Province under grants no.SKL202302038the Major Scientific and Technological Projects of Hebei Province under grants No.23291001Zthe Scientific and Technology Project of Hanjiang District.
文摘Asymmetric tilt boundaries on conventional twin boundaries(TBs)are significant for understanding the role of twins on coordinating plastic deformation in many metallic alloys.However,the formation modes of many asymmetric tilt boundaries are hard to be accounted for based on traditional theoretical models,and the corresponding solute segregation is complex.Herein,atomic structures of a specific asymmetric boundary on{1012}TBs were reveled using aberration-corrected high-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM),molecular dynamics(MD)and density functional theory(DFT)simulations.Reaction between<a60>M dislocations and the{1012}TB can generate a~61°/25°asymmetric tilt boundary.The segregation of Gd and Zn atoms is closely related to the aggregateddislocations and the interfacial interstices of the asymmetric tilt boundary,which is energetically favorable in reducing the total system energy.
基金funded by the National Natural Science Foundation of China(NNSFC)under Grant Numbers 42322408,42188101,and 42441809Additional support was provided by the Climbing Program of the National Space Science Center(NSSC,Grant No.E4PD3005)as well as the Specialized Research Fund for State Key Laboratories of China.
文摘A large-scale view of the magnetospheric cusp is expected to be obtained by the Soft X-ray Imager(SXI)onboard the Solar wind Magnetosphere Ionosphere Link Explorer(SMILE).However,it is challenging to trace the three-dimensional cusp boundary from a two-dimensional X-ray image because the detected X-ray signals will be integrated along the line of sight.In this work,a global magnetohydrodynamic code was used to simulate the X-ray images and photon count images,assuming an interplanetary magnetic field with a pure Bz component.The assumption of an elliptic cusp boundary at a given altitude was used to trace the equatorward and poleward boundaries of the cusp from a simulated X-ray image.The average discrepancy was less than 0.1 RE.To reduce the influence of instrument effects and cosmic X-ray backgrounds,image denoising was considered before applying the method above to SXI photon count images.The cusp boundaries were reasonably reconstructed from the noisy X-ray image.
基金The National Natural Science Foundation of China(Grant No.12462006)Beijing Institute of Structure and Environment Engineering Joint Innovation Fund(No.BQJJ202414).
文摘THE mechanical response and deformation mechanisms of pure nickel under nanoindentation were systematically investigated using molecular dynamics(MD)simulations,with a particular focus on the novel interplay between crystallographic orientation,grain boundary(GB)proximity,and pore characteristics(size/location).This study compares single-crystal nickel models along[100],[110],and[111]orientations with equiaxed polycrystalline models containing 0,1,and 2.5 nm pores in surface and subsurface configurations.Our results reveal that crystallographic anisotropy manifests as a 24.4%higher elastic modulus and 22.2%greater hardness in[111]-oriented single crystals compared to[100].Pore-GB synergistic effects are found to dominate the deformation behavior:2.5 nm subsurface pores reduce hardness by 25.2%through stress concentration and dislocation annihilation at GBs,whereas surface pores enable mechanical recovery via accelerated dislocation generation post-collapse.Additionally,size-dependent deformation regimes were identified,with 1 nm pores inducing negligible perturbation due to rapid atomic rearrangement,in contrast with persistent softening in 2.5 nm pores.These findings establish atomic-scale design principles for defect engineering in nickel-based aerospace components,demonstrating how crystallographic orientation,pore configuration,and GB interactions collectively govern nanoindentation behavior.
基金supported by the National Key R&D Program of China[grant number 2023YFC3008004]。
文摘This study introduces a new ocean surface friction velocity scheme and a modified Thompson cloud microphysics parameterization scheme into the CMA-TYM model.The impact of these two parameterization schemes on the prediction of the movement track and intensity of Typhoon Kompasu in 2021 is examined.Additionally,the possible reasons for their effects on tropical cyclone(TC)intensity prediction are analyzed.Statistical results show that both parameterization schemes improve the predictions of Typhoon Kompasu’s track and intensity.The influence on track prediction becomes evident after 60 h of model integration,while the significant positive impact on intensity prediction is observed after 66 h.Further analysis reveals that these two schemes affect the timing and magnitude of extreme TC intensity values by influencing the evolution of the TC’s warm-core structure.
基金supported by the Science and Technology Research Project of Henan Province(242102241055)the Industry-University-Research Collaborative Innovation Base on Automobile Lightweight of“Science and Technology Innovation in Central Plains”(2024KCZY315)the Opening Fund of State Key Laboratory of Structural Analysis,Optimization and CAE Software for Industrial Equipment(GZ2024A03-ZZU).
文摘The moving morphable component(MMC)topology optimization method,as a typical explicit topology optimization method,has been widely concerned.In the MMC topology optimization framework,the surrogate material model is mainly used for finite element analysis at present,and the effectiveness of the surrogate material model has been fully confirmed.However,there are some accuracy problems when dealing with boundary elements using the surrogate material model,which will affect the topology optimization results.In this study,a boundary element reconstruction(BER)model is proposed based on the surrogate material model under the MMC topology optimization framework to improve the accuracy of topology optimization.The proposed BER model can reconstruct the boundary elements by refining the local meshes and obtaining new nodes in boundary elements.Then the density of boundary elements is recalculated using the new node information,which is more accurate than the original model.Based on the new density of boundary elements,the material properties and volume information of the boundary elements are updated.Compared with other finite element analysis methods,the BER model is simple and feasible and can improve computational accuracy.Finally,the effectiveness and superiority of the proposed method are verified by comparing it with the optimization results of the original surrogate material model through several numerical examples.
基金the Guangxi New Energy Vehicle Laboratory Special Project(No.GuikeAA23062079)the Special Project for Central Guidance of Local Science and Technology Development in Sichuan Province(No.2024ZYD0302).
文摘Cobalt-free LiNiO_(2)(LNO)is considered a promising cathode for its high energy density and costeffectiveness.However,its structural instability under deep delithiation severely limits practical application in nextgeneration batteries.Herein,we propose a high-valence Mo6+doping strategy to simultaneously improve mechanical robustness and electrochemical stability.By stabilizing intergranular interfaces,this method effectively suppresses mechanical degradation induced by lattice strain under deep delithiation.The modified cathode exhibits exceptional electrochemical performance,achieving a specific capacity of 234 mAh·g^(-1)at 0.1 C with 83.4% retention over 100 cycles at 45℃ in lithium-ion batteries(LIBs).Notably,it maintains comparable efficacy in all-solid-state batteries(ASSBs),delivering 239 mAh·g^(-1)at 0.05 C and 82.8% retention after 300 cycles.Density functional theory(DFT)calculations demonstrate a pronounced rise in oxygen vacancy formation energy,increasing from 1.42 to 3.27 eV.These findings offer valuable insights into overcoming the kinetic performance limitations of cobalt-free LNO under deep delithiation conditions.
基金financially supported by the National Natural Science Foundation of China(No.52073214)Guangxi Natural Science Fund for Distinguished Young Scholars(No.2024GXNSFFA010008).
文摘The operational efficiency of membrane electrode assemblies in direct liquid fuel cells is critically dependent on the fuel purity in the anode compartment.To address the inherent challenge of fuel mixing problem in alcohol systems,we propose a rational catalyst design strategy focusing on morphological and compositional optimization.Sodium borohydride-derived PtCuMo alloy aerogels(AA)exhibit abundant grain boundary defects,while solvothermally prepared nanowire arrays(NA)maintain excellent single-crystalline characteristics.Density functional theory calculations demonstrate that engineered grain boundaries can effectively broaden the adsorption energy window for key reaction intermediates,enabling superior adaptability to diverse catalytic pathways.By precisely controlling Cu content,we identified Pt_(3)Cu_(3)Mo_(0.5)AA as the optimal catalyst configuration,demonstrating 150% enhancement in methanol oxidation reaction activity compared to Pt_(3)Cu_(6)Mo_(0.5)NA(1.5 vs.0.6 A·mg_(Pt)^(-1))and 17% improvement in ethanol oxidation reaction performance versus Pt_(3)Cu_(1)Mo_(0.5)NA(0.82 vs.0.70 A·mg_(Pt)^(-1)).Practical application testing using gas diffusion electrodes(anode loading:0.85 mg_(Pt)·cm^(-2))achieved a mass-specific power density of 14.14 W·g_(Pt)^(-1)in 1:1 methanol/ethanol blends,representing a 3.5-fold improvement over commercial Pt/C benchmarks.This work establishes a fundamental framework for developing highperformance,broad-spectrum electrocatalysts in advanced fuel cell systems.
基金supported by the Natural Science Basic Research Program of Shaanxi Province (Grant Nos.2024JC-JCQN-06 and2025JC-QYCX-006)the National Natural Science Foundation of China (Grant No.12474337)Chinese Academy of Sciences Project (Grant Nos.E4BA270100,E4Z127010F,E4Z6270100,and E53327020D)。
文摘In conventional higher-order topological insulators(HOTIs),the emergence of topological states can be explained by using the nonzero bulk polarization index.However,corner states emerge in HOTIs with incomplete boundary unit cells(i.e.,boundary defects)even though the bulk polarization is zero,which challenges the conventional understanding of HOTIs.Here,based on a Kekul´e-distorted honeycomb lattice with incomplete unit cells,we reveal that incomplete unit cells exhibit fractional charges through the analysis of Wannier centers by developing a compensation method and creating the concept of Wannier center domain(WCD)which is the smallest region that one Wannier center occupies.This method compensates for the missing parts of these boundary incomplete unit cells with additional WCDs to make them complete.The compensated WCDs automatically carry the corresponding charge,and this charge together with that of the incomplete unit cell constitutes the total charge of the complete unit cell after compensation.We conclude that the emergence of corner states is attributed to the filling anomaly,which is a fundamental mechanism.Our results refresh the understanding of HOTIs,especially those with structural discontinuities,and provide a novel design for topological states which have application value in producing optical functional devices.
基金Item Sponsored by National Basic Research Program of China(2007CB209800)
文摘Hot compression tests were conducted in a temperature range of 800--1100 ℃and strain rate range of 0. 1- 10 s^-1 using a Gleeble 3500 thermomechanical simulator to investigate the influence of hot deformation parameters （temperatures, strain rates and strains） on the grain boundary network evolution of a new grade Fe-Cr-Ni superaustenitic stainless steel. The results showed that a dominant effect of deformed temperature is ∑3^n （n = 0, 1, 2, 3） boundaries population increased with decreasing temperature, while they first increased and then reduced with in- creasing strain and strain rate. Interestingly, besides E3n （n = 1, 2, 3） twin grain boundaries, some El boundaries could interrupt grain boundaries network effectively, which enhance material performances. But they are scarcely re- ported. The misorientation of some segments LAGBs in the deformed microstructure （pancaked grains） increased and slid to high angle grain boundaries with increasing the fraction of reerystallized grains during hot deformation.
文摘By focusing on impact-triggered phenomena having occurred synchronously with or shortly prior to formation boundaries, two glass sand pits (Upper Maastrichtian) located near Uhry, North Germany have been studied in regard to the K/T boundary throughout the last 40 years during progressive exploitation of glass sand. However, a clastic sequence of sand, mass flow and pelite deposited in a deep channel of about 10 - 12 m in depth, eroded into the glass sand, surprisingly shows an Upper Eocene/Lower Oligocene age, well defined by a Dinocyst assemblage (Chiripteridium c. galea, Enneado cysta arcuata, Areoligera tauloma = D 12na - D 14na) from a 0.5 meter thick pelite that marks the Rupelian transgression within an estuarian system running northwest/southeastward. The section exposes a high energy mass flow and formerly solid frozen angular glass sand blocks of up to a meter-size embedded in fluvial sand of the channel base. Furthermore, erratic clastics of up to 0.4 meter in diameter appear at the pelite base. The “unusual” Dinocyst assemblage is of autochthonous origin and comprises the fresh water alga Pediastrum Kawraiskyias indicator for cold climate, hitherto only known from Quaternary. Missing pollen indicate a vegetation-less hinterland. Thus, there cannot be any doubt that around the E/O b. at least one “rare event” has happened as verified by short tremendous flooding and significant temperature fall (“cosmic winter”). According to the attitude of the global impact scientific community, these phenomena belong to the spectrum of “indirect effects” of major impacts. Radiometric ages of relevant major impact events underline that both impact craters of Popigai, Russia (100 Kilometer in diameter, 35.7 Ma) and Chesabreake, USA (85 Kilometer in diameter, 35.5 Ma) happened shortly before the E/O b.(33.75 Ma). In addition, a tektite strewn field along the eastern coast of the USA and micro-tektites (Gulf of Mexico, Caribbean Sea, Barbados) yield an age of ~34.4 Ma, close to the E/O b. Consequently, there does exist an extremely high probability that Uhry site hosts impact-triggered products at the E/O b. It should be stressed that the Upper Eocene Epoch comprises an amazingly high number of impact events during the time-span 34.2 - 37.0 Ma.
基金supported in part by the National Science Foundation under Grants DMS-0807551,DMS-0720925,and DMS-0505473the Natural Science Foundationof China(10728101)supported in part by EPSRC grant EP/F029578/1
文摘We study the initial-boundary value problem of the Navier-Stokes equations for incompressible fluids in a general domain in R^n with compact and smooth boundary,subject to the kinematic and vorticity boundary conditions on the non-flat boundary.We observe that,under the nonhomogeneous boundary conditions,the pressure p can be still recovered by solving the Neumann problem for the Poisson equation.Then we establish the well-posedness of the unsteady Stokes equations and employ the solution to reduce our initial-boundary value problem into an initial-boundary value problem with absolute boundary conditions.Based on this,we first establish the well-posedness for an appropriate local linearized problem with the absolute boundary conditions and the initial condition(without the incompressibility condition),which establishes a velocity mapping.Then we develop apriori estimates for the velocity mapping,especially involving the Sobolev norm for the time-derivative of the mapping to deal with the complicated boundary conditions,which leads to the existence of the fixed point of the mapping and the existence of solutions to our initial-boundary value problem.Finally,we establish that,when the viscosity coefficient tends zero,the strong solutions of the initial-boundary value problem in R^n(n≥3)with nonhomogeneous vorticity boundary condition converge in L^2 to the corresponding Euler equations satisfying the kinematic condition.
基金supported by the National Natural Science Foundation of China under Grant No.51972089。
文摘ZrC is a promising candidate for the application in ultra-high temperature regime due to its unique combination of excellent properties,such as high melting point,good chemical inertness and high temperature stability.The rapid decrease of strength at high temperatures,however,is one of the obstacles that impedes its practical services.Strengthening of grain boundaries by solute segregation is believed to be an effective way to improve its high temperature performance.Therefore,the segregation tendency of ten solid solute atoms,including Sc,Ti,V,Cr,Y,Nb,Mo,Hf,Ta,W,in Zr C grain boundaries,and the strengthening/weakening effects on grain boundaries due to segregation are investigated by first-principles calculations.The segregation tendency is found dominated by the size effect,which is confirmed by both a qualitative analysis and a quantitative approach based on support vector regression.It means that big atoms tend to segregate to grain boundary sites with local expansions,while small atoms tend to segregate to grain boundary sites with local compressions.Simulations on stress-strain responses indicate that segregation of small atoms(Ti,V,Cr,Nb,Ta,Mo,W)can usually improve grain boundary strengths by inducing compression strains to grain boundaries,even though there is also an exception.In contrast,segregation of Sc and Y will soften grain boundaries.The results reveal that strengthening of grain boundaries by solute segregation is a valuable avenue to enhance high temperature mechanical properties of ZrC,providing guidelines for further design of ZrC based materials.
基金Project supported by the National Natural Science Foundation of China (Grant Nos 10432010 and 10472086)
文摘This paper demonstrates and analyses double heteroclinic tangency in a three-well potential model, which can produce three new types of bifurcations of basin boundaries including from smooth to Wada basin boundaries, from fractal to Wada basin boundaries in which no changes of accessible periodic orbits happen, and from Wada to Wada basin boundaries. In a model of mechanical oscillator, it shows that a Wada basin boundary can be smooth.
基金supported by National Scientific Foundation of China with Grant No. 41774067
文摘In this paper, we developed the theory and algorithm of an elastic one-way boundary element method（BEM） and a corresponding hybrid elastic thin-slab propagator for earth media with sharp boundaries between strong contrast media. This approach can takes the advantage of accurate boundary condition of BEM and completely overcomes the weak contrast limitation of the perturbationtheory based one-way operator approach. The one-way BEM is a smooth boundary approximation, which avoids huge matrix operations in exact full BEM. In addition, the one-way BEM can model the primary-only transmitted and reflected waves and therefore is a valuable tool in elastic imaging and inversion. Through numerical tests for some simple models,we proved the validity and efficiency of the proposed method.
基金Supported by National Natural Science Foundation of China(12101482)Postdoctoral Science Foundation of China(2022M722604)+2 种基金General Project of Science and Technology of Shaanxi Province(2023-YBSF-372)The Natural Science Foundation of Shaan Xi Province(2023-JCQN-0016)Shannxi Mathmatical Basic Science Research Project(23JSQ042)。
文摘In order to better describe the phenomenon of biological invasion,this paper introduces a free boundary model of biological invasion.Firstly,the right free boundary is added to the equation with logistic terms.Secondly,the existence and uniqueness of local solutions are proved by the Sobolev embedding theorem and the comparison principle.Finally,according to the relevant research data and contents of red fire ants,the diffusion area and nest number of red fire ants were simulated without external disturbance.This paper mainly simulates the early diffusion process of red fire ants.In the early diffusion stage,red fire ants grow slowly and then spread over a large area after reaching a certain number.
基金Supported in part by Exxon R&E company,the Chinese Postdoctoral Foundation,and ShanghaiPostdoctoral Foundation.
文摘A hydrodynamic boundary condition for the lattice Boltzmann model at impermeable boundaries is developed.This boundary condition satisfies both the no-slip condition and the fluid conservation at boundary nodes.Poiseuille flow and Couette flow are calculated with this technique to demonstrate the accuracy of the present boundary condition.
基金sponsored by the National Natural Science Foundation of China(Grant Nos.52074182,52304406 and U23A20612)the Natural Science Foundation of Shanghai(Grant Nos.22ZR1430700 and 23TS1401900)+1 种基金the National Science and Technology Major Project(No.2017-VII-0008-0102)Neng Ren acknowledges the Startup Fund for Young Faculty at SJTU.
文摘Low-angle grain boundaries(LAGBs)are one of the solidification defects in single-crystal nickel-based superalloys and are detrimental to the mechanical properties.The formation of LAGBs is related to dendrite deformation,while the mechanism has not been fully understood at the mesoscale.In this work,a model coupling dendrite growth,thermal-solutal-fluid flow,thermal stress and flow-induced dendrite deformation via cellular automaton-finite volume method and finite element method is developed to study the formation of LAGBs in single crystal superalloys.Results reveal that the bending of dendrites is primarily attributed to the thermal-solutal convection-induced dendrite deformation.The mechanical stress of dendrite deformation develops and stabilises as solidification proceeds.As the width of the mushy zone gets stable,stresses are built up and then dendritic elastoplastic bending occurs at some thin primary dendrites with the wider inter-dendritic space.There are three characteristic zones of stress distribution along the solidification direction:(i)no stress concentration in the fully solidified regions;(ii)stress developing in the primary dendrite bridging region,and(iii)stress decrease in the inter-dendritic uncontacted zone.The stresses reach maximum near the initial dendrite bridging position.The lower temperature gradients,the finer primary dendritic trunks and sudden reductions in local dendritic trunk radius jointly promote the elastoplastic deformation of the dendrites.Corresponding measures are suggested to reduce LAGBs.
基金Project supported by the National Natural Science Foundation of China(52361033)National Key Research and Development Program(2022YFB3505400)+3 种基金Ministry of Industry and Information Technology Heavy Rare Earth Special Use of Sintered NdFeB Project(TC220H06J)Academic and Technical Leaders in Major Disciplines in Jiangxi Province(2022BCJ23007)Jiangxi Province Science and Technology Cooperation Key Project(20212BDH80007)Jiangxi Graduate Student Innovation Special Fund Project(YC2023-B213)。
文摘Grain boundary diffusion technology is pivotal in the preparation of high-performance NdFeB magnets.This study investigates the factors that affect the efficiency of grain boundary diffusion,starting from the properties of the diffusion matrix.Through the adjustment of the sintering process,we effectively prepared magnets with varied densities that serve as the matrix for grain boundary diffusion with TbH,diffusion.The mobility characteristics of the Nd-rich phase during the densification stage are leveraged to ensure a more extensive distribution of heavy rare earth elements within the magnets.According to the experimental results,the increase in coercivity of low-density magnets after diffusion is significantly greater than that of relatively high-density magnets.The coercivity values measured are 805.32 kA/m for low-density magnets and 470.3 kA/m for high-density magnets.Additionally,grain boundary diffusion notably enhances the density of initial low-density magnets,addressing the issue of low density during the sintering stage.Before the diffusion treatment,the Nd-rich phases primarily concentrate at the triangular grain boundaries,resulting in an increased number of cavity defects in the magnets.These cavity defects contain atoms in a higher energy state,making them more prone to transition.Consequently,the diffusion activation energy at the void defects is lower than the intracrystalline diffusion activation energy,accelerating atom diffusion.The presence of larger cavities also provides more space for atom migration,thereby promoting the diffusion process.After the diffusion treatment,the proportion of bulk Nd-rich phases significantly decreases,and they infiltrate between the grains to fill the cavity defects,forming continuous fine grain boundaries.Based on these observations,the study aims to explore how to utilize this information to develop an efficient technique for grain boundary diffusion.
基金Supported by the National Natural Science Foundation of China(52201350,52201394,and 52271301)the Innovation Group Project of Southern Marine Science and Engineering Guangdong Laboratory(Zhuhai)(Grant No.SML2022008).
文摘To explore the relationship between dynamic characteristics and wake patterns,numerical simulations were conducted on three equal-diameter cylinders arranged in an equilateral triangle.The simulations varied reduced velocities and gap spacing to observe flow-induced vibrations(FIVs).The immersed boundary–lattice Boltzmann flux solver(IB–LBFS)was applied as a numerical solution method,allowing for straightforward application on a simple Cartesian mesh.The accuracy and rationality of this method have been verified through comparisons with previous numerical results,including studies on flow past three stationary circular cylinders arranged in a similar pattern and vortex-induced vibrations of a single cylinder across different reduced velocities.When examining the FIVs of three cylinders,numerical simulations were carried out across a range of reduced velocities(3.0≤Ur≤13.0)and gap spacing(L=3D,4D,and 5D).The observed vibration response included several regimes:the desynchronization regime,the initial branch,and the lower branch.Notably,the transverse amplitude peaked,and a double vortex street formed in the wake when the reduced velocity reached the lower branch.This arrangement of three cylinders proved advantageous for energy capture as the upstream cylinder’s vibration response mirrored that of an isolated cylinder,while the response of each downstream cylinder was significantly enhanced.Compared to a single cylinder,the vibration and flow characteristics of this system are markedly more complex.The maximum transverse amplitudes of the downstream cylinders are nearly identical and exceed those observed in a single-cylinder set-up.Depending on the gap spacing,the flow pattern varied:it was in-phase for L=3D,antiphase for L=4D,and exhibited vortex shedding for L=5D.The wake configuration mainly featured double vortex streets for L=3D and evolved into two pairs of double vortex streets for L=5D.Consequently,it well illustrates the coupling mechanism that dynamics characteristics and wake vortex change with gap spacing and reduced velocities.
基金funded in part by the National Key Research and Development Program of China(2020YFB0905900)in part by Science and Technology Project of State Grid Corporation of China(SGCC)The Key Technologies for Electric Internet of Things(SGTJDK00DWJS2100223).
文摘Fast and accurate transient stability analysis is crucial to power system operation.With high penetration level of wind power resources,practical dynamic security region(PDSR)with hyper plane expression has outstanding advantages in situational awareness and series of optimization problems.The precondition of obtaining accurate PDSR boundary is to locate sufficient points around the boundary(critical points).Therefore,this paper proposes a space division and Wasserstein generative adversarial network with gra-dient penalty(WGAN-GP)based fast generation method of PDSR boundary.First,the typical differential topological characterizations of dynamic security region(DSR)provide strong theoretical foundation that the interior of DSR is hole-free and the boundaries of DSR are tight and knot-free.Then,the space division method is proposed to calculate critical operation area where the PDSR boundary is located,tremen-dously compressing the search space to locate critical points and improving the confidence level of boundary fitting result.Furthermore,the WGAN-GP model is utilized to fast obtain large number of criti-cal points based on learning the data distribution of the small training set aforementioned.Finally,the PDSR boundary with hyperplanes is fitted by the least square method.The case study is tested on the Institute of Electrical and Electronics Engineers(IEEE)39-bus system and the results verify the accuracy and efficiency of the proposed method.
