Anode-free lithium metal batteries are prone to capacity degradation and safety hazards due to the formation and growth of lithium dendrites.The interface between the current collector and deposited lithium plays a cr...Anode-free lithium metal batteries are prone to capacity degradation and safety hazards due to the formation and growth of lithium dendrites.The interface between the current collector and deposited lithium plays a critical role in preventing dendrite formation by regulating the thermodynamics and kinetics of lithium deposition.In this study,we develop a phase field model to investigate the influence of the current collector’s surface energy on lithium deposition morphology and its effect on the quality of the lithium metal film.It is demonstrated that a higher surface energy of the current collector promotes the growth of lithium metal along the surface of the current collector.Further,our simulation results show that a higher surface energy accelerates the formation of the lithium metal film while simultaneously reducing its surface roughness.By examining different contact angles and applied potentials,we construct a phase diagram of deposition morphology,illustrating that increased surface energy facilitates the dense and uniform deposition of lithium metal by preventing the formation of lithium filaments and voids.These findings provide new insights into the development and application of anode-free lithium metal batteries.展开更多
Flexoelectricity is a two-way coupling effect between the strain gradient and electric field that exists in all dielectrics,regardless of point group symmetry.However,the high-order derivatives of displacements involv...Flexoelectricity is a two-way coupling effect between the strain gradient and electric field that exists in all dielectrics,regardless of point group symmetry.However,the high-order derivatives of displacements involved in the strain gradient pose challenges in solving electromechanical coupling problems incorporating the flexoelectric effect.In this study,we formulate a phase-field model for ferroelectric materials considering the flexoelectric effect.A four-node quadrilateral element with 20 degrees of freedom is constructed without introducing high-order shape functions.The microstructure evolution of domains is described by an independent order parameter,namely the spontaneous polarization governed by the time-dependent Ginzburg–Landau theory.The model is developed based on a thermodynamic framework,in which a set of microforces is introduced to construct the constitutive relation and evolution equation.For the flexoelectric part of electric enthalpy,the strain gradient is determined by interpolating the mechanical strain at the node via the values of Gaussian integration points in the isoparametric space.The model is shown to be capable of reproducing the classic analytical solution of dielectric materials incorporating the flexoelectric contribution.The model is verified by duplicating some typical phenomena in flexoelectricity in cylindrical tubes and truncated pyramids.A comparison is made between the polarization distribution in dielectrics and ferroelectrics.The model can reproduce the solution to the boundary value problem of the cylindrical flexoelectric tube,and demonstrate domain twisting at domain walls in ferroelectrics considering the flexoelectric effect.展开更多
A phase-field model for growth of iron whiskers that includes convection around a particle was investigated during the process of fluidized pre-reduction. In the simulations, the phase-field method was coupled with fl...A phase-field model for growth of iron whiskers that includes convection around a particle was investigated during the process of fluidized pre-reduction. In the simulations, the phase-field method was coupled with flow field and reduction of iron oxide particles. The results showed that the reduction rate at local place had significant effects on the iron ions diffusion and the iron whiskers were more easily grown on the area containing low mole fraction of oxygen. The growth of iron whiskers in the model was investigated in two important simple situations: a velocity change flow and a CO concentration change flow. Because of high reduction rate and low surface energy, iron whiskers were more easily grown on the windward surface and the length of iron whiskers increased with gas velocity increasing. However, both the length and numbers of iron whiskers increased with CO concentration increasing due to the more nucleation site of iron whiskers created by CO adsorbed. When the gas velocity is higher than 0.3 m/s or CO mole fraction is high than 0.6, the nucleation incubation time would be rapidly decreased, which could give suggestions to control the operational parameters in the fluidized pre-reduction process.展开更多
Phase-field model was employed to quantitatively study the effect of convection on pattern selection and growth rate of 2D and 3D dendrite tip,as well as the effect of the different convection velocity on the dendriti...Phase-field model was employed to quantitatively study the effect of convection on pattern selection and growth rate of 2D and 3D dendrite tip,as well as the effect of the different convection velocity on the dendritic growth.The calculated results show that crystal is asymmetric in the priority direction of growth under flow.The dentritic growth is promoted in the upstream region and suppressed in the downstream region.Convection can cause deviation in the dendrite growth direction and the preferred direction of the columnar crystals.It has been found that both primary dendrite stem and secondary dendrite arm deflect significantly towards upstream direction,secondary dendrite arm in upstream direction is more developed than the primary dendrite in downstream direction.展开更多
The evolution of ordered interphase boundary (IPB) of Ni75AlxV25-x alloys was simulated using the microscopic phase-field method. Based on the atomic occupation probability figure on 2D and order parameters, it was fo...The evolution of ordered interphase boundary (IPB) of Ni75AlxV25-x alloys was simulated using the microscopic phase-field method. Based on the atomic occupation probability figure on 2D and order parameters, it was found that the IPB formed by different directions ofθ phase has great effect on the precipitation of γ ′ phase. The γ ′ phase precipitated at the IPB that is formed by [1 00]θ direction where the ( 001)θ plane is opposite, and then grows up and the shape is strap at final. The IPB structure between γ ′phase andθ phase is the same. There is no γ ′ phase precipitate at the IPB where the ( 002)θ and ( 001)θ planes are opposite, the ordered IPB is dissolved into disordered area. There is γ ′ phase precipitation at the IPB formed by the [ 001]θ and [1 00]θ directions, and the IPB structure is different between γ ′ phase and the different directions ofθ phase. The IPB where ( 001)γ′ and (1 00)θ plane opposite does not migrate during the γ ′ phase growth, and γ ′ phase grows along [1 00]θdirection.展开更多
Since the discovery of ferromagnetic morphotropic phase boundary(MPB)in 2010,the connotation and extension of MPB have been becoming more and more abundant.Over the last dozen years,much experimental work has been don...Since the discovery of ferromagnetic morphotropic phase boundary(MPB)in 2010,the connotation and extension of MPB have been becoming more and more abundant.Over the last dozen years,much experimental work has been done to design magnetostrictive materials based on the MPB principle.However,due to the difficulty in direct experimental observations and the complexity of theoretical treatments,the insight into the microstructure property relationships and underlying mechanisms near the ferromagnetic MPB has not been fully revealed.Here,we have reviewed our recent computer simulation work about the super-magnetoelastic behavior near the critical region of several typical materials.Phase-field modeling and simulation are employed to explore the domain configuration and engineering in single crystals as well as the grain size effect in polycrystals.Besides,a general nano-embryonic mechanism for superelasticity is also introduced.Finally,some future perspectives and challenges are presented to stimulate a deeper consideration of the research paradigm between multiscale modeling and material development.展开更多
Using multi-directional forging temperature as the independent variable and adopting the dual-mode phase field crystal model,the nucleation modes,reaction mechanisms,and interactions between grain boundaries and dislo...Using multi-directional forging temperature as the independent variable and adopting the dual-mode phase field crystal model,the nucleation modes,reaction mechanisms,and interactions between grain boundaries and dislocations at different temperatures were investigated.Results show that a mapping relationship between process parameters and grain refinement/coarsening is established,and the optimal processing temperature coefficient is 0.23.Compared with the cases with processing temperature coefficient of 0.19,0.20,0.21,0.25,and 0.27,the refinement effect increases by 256.0%,146.0%,113.0%,6.7%,and 52.4%,respectively.Excessively high temperatures lead to grain coarsening due to dislocation annihilation,and the application of strain can reduce the actual melting point of materials.Even if the processing temperature does not exceed the theoretical melting point,remelting and crystallization may still occur,resulting in an overburning phenomenon that reduces internal defects and increases overall grain size.This research is of great significance for the actual forging process design.展开更多
Epoxy resin is widely used in electrical insulation because of its excellent mechanical and insulating properties;however,its performance can degrade over time owing to thermal aging.This study focuses on developing a...Epoxy resin is widely used in electrical insulation because of its excellent mechanical and insulating properties;however,its performance can degrade over time owing to thermal aging.This study focuses on developing a thermal aging region growth model for epoxy resin using the phase-field method.The reliability of the model is validated by applying a 20 MV/m electric field and observing the evolution of aging regions and the distribution of the internal energy density.A Gaussian-distributed aging region near the electrodes confirmed that the model accurately captured the uniform growth of aging regions under a constant electric field,with thermal energy playing a dominant role in the aging process.To examine the impact of internal defects,a fully aged region is introduced at the center of the simulation domain to simulate the effects of cavity discharge.The results indicated that while aging regions within defects grew rapidly,the overall growth remained slow and stable and is primarily influenced by charge diffusion.Further analysis explored the effects of the internal cavity defects near the electrodes.The presence of defects attracted the aging regions,causing them to grow uniformly without significant morphological changes,highlighting the interplay between thermal and charge-induced aging.The phase-field model effectively captures the dynamics of the aging regions influenced by internal defects,gradient energy,and charge diffusion.This comprehensive understanding enhances our ability to predict material degradation and informs the design of more reliable insulating materials for electrical applications.展开更多
The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the...The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the TiNb binary alloy system during spinodal decomposition,and then the formation mechanism of core-shell structure was revealed.In addition,the influences of initial temperature gradient,average temperature,and initial concentration distribution of the system on the core-shell structure were investigated.Results show that the initial concentration gradient is the key factor for forming the core-shell structure.Besides,larger initial temperature gradient and higher average temperature can promote the formation of core-shell structure,which can be stabilized by adjusting the initial concentration distribution of the Nb-rich region in TiNb binary alloy.As a theoretical basis,this research provides a novel and simple strategy for the preparation of TiNb-based alloys and other materials with peculiar core-shell structures and desirable mechanical and physical properties.展开更多
Combining the phase-field method and the moving boundary method,a three-dimensional phase-field simulation was conducted for the growth and grain evolution of Ti films deposited by physical vapor deposition under diff...Combining the phase-field method and the moving boundary method,a three-dimensional phase-field simulation was conducted for the growth and grain evolution of Ti films deposited by physical vapor deposition under different deposition rates and grain orientations.The evolution of grain morphology and grain orientation was also taken into consideration.Simulation results show that at lower deposition rates,the surface of the formed Ti film exhibits a distinct oriented texture structure.The surface roughness of the Ti film is positively correlated with the grain misorientation.Moreover,the surface roughness obtained from the simulation is in good agreement with the experiment results.展开更多
Nonlinear Rossby waves are used to describe typical wave phenomena in large-scale atmosphere andocean.Owing to the nonlinearity of the involved problems,the weakly nonlinear method,ie the derivative ex-pansion method,...Nonlinear Rossby waves are used to describe typical wave phenomena in large-scale atmosphere andocean.Owing to the nonlinearity of the involved problems,the weakly nonlinear method,ie the derivative ex-pansion method,was mainly used to investigate Rossby waves under the combined effects of the generalizedβ-effect and the basic flow effect.The derivative expansion method has the advantage of capturing the multi-scalecharacteristics of wave processes simultaneously.In the case where the perturbation expansion is independentof secular terms,the nonlinear equations describing the amplitude evolution of nonlinear waves were derived,such as the Korteweg-de Vries equation,the Boussinesq equation and Zakharov-Kuznetsov equation.Both quali-tative and quantitative analyses indicate that the generalizedβ-effect is the key factor inducing the evolution ofRossby solitary waves.展开更多
SiC/Al-based composite foams were prepared by a two-step foaming method.The influence of the SiC content and its distribution uniformity on the foaming stability,cell structure,and mechanical properties of the aluminu...SiC/Al-based composite foams were prepared by a two-step foaming method.The influence of the SiC content and its distribution uniformity on the foaming stability,cell structure,and mechanical properties of the aluminum foams was investigated.The macro/micro-features of the aluminum foams were characterized and analyzed.Results demonstrate that an appropriate increase in SiC content and the uniform distribution of SiC can improve the foaming stability,optimize the cell diameter and cell wall thickness,ameliorate the cell distribution,and enhance the hardness and compressive strength of the aluminum foams.However,either insufficient or excessive SiC leads to uneven distribution of SiC particles,which is unfavorable to foaming stability and good cell structure formation.With 6wt%SiC,both the foaming stability and cell structure of the aluminum foam reach the optimal state,resulting in the highest compressive strength and optimal energy absorption capacity.展开更多
In this paper,we consider the maximal positive definite solution of the nonlinear matrix equation.By using the idea of Algorithm 2.1 in ZHANG(2013),a new inversion-free method with a stepsize parameter is proposed to ...In this paper,we consider the maximal positive definite solution of the nonlinear matrix equation.By using the idea of Algorithm 2.1 in ZHANG(2013),a new inversion-free method with a stepsize parameter is proposed to obtain the maximal positive definite solution of nonlinear matrix equation X+A^(*)X|^(-α)A=Q with the case 0<α≤1.Based on this method,a new iterative algorithm is developed,and its convergence proof is given.Finally,two numerical examples are provided to show the effectiveness of the proposed method.展开更多
This study presents an effective hybrid simulation approach for simulating broadband ground motion in complex near-fault locations.The approach utilizes a deterministic approach based on the spectral element method(SE...This study presents an effective hybrid simulation approach for simulating broadband ground motion in complex near-fault locations.The approach utilizes a deterministic approach based on the spectral element method(SEM),which is used to simulate low-frequency ground motion(f<1 Hz)by incorporating an innovative efficient discontinuous Galerkin(DG)method for grid division to accurately model basin sedimentary layers at reduced costs.It also introduces a comprehensive hybrid source model for high-frequency random scattering and a nonlinear analysis module for basin sedimentary layers.Deterministic outcomes are combined with modified three-dimensional stochastic finite fault method(3D-EXSIM)simulations of high-frequency ground motion(f>1 Hz).A fourth-order Butterworth filter with zero phase shift is employed for time-domain filtering of low-and high-frequency time series at a crossover frequency of 1 Hz,merging the low and high-frequency ground motions into a broadband time series.Taking an Ms 6.8 Luding earthquake,as an example,this hybrid method was used for a rapid and efficient simulation analysis of broadband ground motion in the region.The accuracy and efficiency of this hybrid method were verified through comparisons with actually observed station data and empirical attenuation curves.Deterministic method simulation results revealed the effects of mountainous topography,basin effects,nonlinear effects within the basin’s sedimentary layers,and a coupling interaction between the basin and the mountains.The findings are consistent with similar studies,showing that near-fault sedimentary basins significantly focus and amplify strong ground motion,and the soil’s nonlinear behavior in the basin influences ground motion to varying extents at different distances from the fault.The mountainous topography impacts the basin’s response to ground motion,leading to barrier effects.This research provides a scientific foundation for seismic zoning,urban planning,and seismic design in nearfault mountain basin regions.展开更多
This study systematically conducted preparation optimization and performance investigations on Co-modified Ce/TiO_(2) catalysts,with a focus on examining how preparation methods and Co loading regulate the catalyst’s...This study systematically conducted preparation optimization and performance investigations on Co-modified Ce/TiO_(2) catalysts,with a focus on examining how preparation methods and Co loading regulate the catalyst’s low-temperature denitrification activity.After identifying optimal preparation parameters via condition screening,multiple characterization techniques-including BET,XRD,XPS,H_(2)-TPR and in situ DRIFTS-were employed to deeply analyze the catalyst’s physicochemical properties and reaction mechanism.Results demonstrated that compared to the impregnation and co-precipitation methods,the Ce-Co_(0.025)/TiO_(2)-SG catalyst(prepared by the sol-gel method with a Co/Ti mass ratio of 0.025)exhibited significantly superior denitrification activity:NO conversion remained stably above 95%in the 225−350℃ temperature range,and it displayed high N_(2) selectivity.Characterization analysis revealed that abundant surface oxygen vacancies,a high proportion of Ce^(3+) species,and prominent acidic sites collectively contributed to enhancing its low-temperature denitrification performance.This work provides reference value for the development of highly efficient low-temperature denitrification catalysts.展开更多
[Objectives]This study was conducted to establish a quantitative assessment method for the textural quality of chieh-qua fruit.[Methods]Using two modes of a texture analyzer,namely TPA(texture profile analysis)and pun...[Objectives]This study was conducted to establish a quantitative assessment method for the textural quality of chieh-qua fruit.[Methods]Using two modes of a texture analyzer,namely TPA(texture profile analysis)and puncture,the index data of the fruit were obtained by setting different trigger forces,deformation levels,test speeds,as well as puncture speeds and puncture depths.The data included TPA hardness,adhesiveness,springiness,cohesiveness,gumminess,chewiness,resilience,as well as skin hardness,skin toughness,flesh hardness,fracturability,and compactness.[Results]Different deformation levels had a significant impact on all parameters.Hardness,adhesiveness,gumminess and chewiness showed a trend of first increasing and then decreasing with the deformation level increasing.When the deformation level was 30%,the adhesiveness,gumminess and chewiness reached their maximum values.When the deformation level was 50%,TPA hardness reached its maximum.When the compression speed was 3 mm/s,the measured values of TPA hardness,adhesiveness,chewiness,and resilience were at their maximums.The skin hardness varied significantly under different trigger forces.When the trigger force was 15 g,the skin hardness reached a maximum value of 944.63 g,and the skin toughness,flesh hardness,fracturability,and compactness also reach their maximum values respectively.When the puncture depth was 12 mm,the flesh hardness and skin toughness reached their maximums of 682.51 g and 1.82 mm,respectively.In the TPA mode,the flesh hardness of chieh-qua showed an extremely significant negative correlation with springiness,cohesiveness,and resilience(P<0.01).The fruit fracturability detected by puncture had an extremely significant positive correlation with compactness(P<0.01).[Conclusions]The evaluation method for measuring chieh-qua texture by combining TPA and the puncture mode could accurately and quantitatively reflect the differences in the flesh texture quality of chieh-qua.The optimal parameters for texture measurement of chieh-qua fruit were determined as a 15 g trigger force with 50%deformation and a 3 mm/s compression speed in TPA mode,and a 15 g trigger force with a 12 mm puncture depth in puncture mode.Puncture speed was found to have no significant effect on the texture indices of chieh-qua.展开更多
The testing of large structures is limited by high costs and long cycles, making scaling methods an attractive solution. However, the scaling process of elastic rings introduces complexities in multi-parameter geometr...The testing of large structures is limited by high costs and long cycles, making scaling methods an attractive solution. However, the scaling process of elastic rings introduces complexities in multi-parameter geometric distortions, leading to a diminution in the predictive accuracy of the distorted similitude. To address this challenge, this study formulates a novel set of scaling laws, tailored to account for the intricate geometric distortions associated with elastic rings. The proposed scaling laws are formulated based on the intrinsic deformation characteristics of elastic rings, rather than the traditional systemic governing equations. Numerical and experimental cases are conducted to assess the efficacy and precision of the proposed scaling laws, and the obtained results are compared with those achieved by traditional methods. The outcomes demonstrate that the scaling laws put forth by this study significantly enhance the predictive capabilities for deformations of elastic rings.展开更多
This study presents an implicit multiphysics coupling method integrating Computational Fluid Dynamics(CFD),the Multiphase Particle-in-Cell(MPPIC)model,and the Finite Element Method(FEM),implemented with OpenFOAM,Calcu...This study presents an implicit multiphysics coupling method integrating Computational Fluid Dynamics(CFD),the Multiphase Particle-in-Cell(MPPIC)model,and the Finite Element Method(FEM),implemented with OpenFOAM,CalculiX,and preCICE to simulate fluid-particle-structure interactions with large deformations.Mesh motion in the fluid field is handled using the radial basis function(RBF)method.The particle phase is modeled by MPPIC,where fluid-particle interaction is described through momentum exchange,and inter-particle collisions are characterized by collision stress.The structural field is solved by nonlinear FEM to capture large deformations induced by geometric nonlinearity.Coupling among fields is realized through a partitioned,parallel,and non-intrusive iterative strategy,ensuring stable transfer and convergence of interface forces and displacements.Notably,the influence of particles on the structure is not direct but mediated by the fluid,while structural motion directly affects particle dynamics.The results demonstrate that the proposed approach effectively captures multiphysics interaction processes and provides a valuable reference for numerical modeling of coupled fluid-particle-structure systems.展开更多
As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency...As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters.展开更多
In a multiple voltage source converter(VSC)system,the nonlinear characteristics of phase-locked loops(PLLs)and their interactions have a significant influence on the synchronization stability of converters.In this pap...In a multiple voltage source converter(VSC)system,the nonlinear characteristics of phase-locked loops(PLLs)and their interactions have a significant influence on the synchronization stability of converters.In this paper,these influences are investigated from the perspective of the time domain.First,a novel time-domain model of the multi-VSC system is obtained by using a multi-scale method.On this basis,a stability criterion is proposed to assess the synchronization stability of the system.Then,the accuracy of the time-domain model and its stability criterion in various conditions are discussed.Moreover,the negative impact of the interaction on the system is quantified.Finally,the above theoretical analysis is also verified in the controller hardware-in-the-loop(CHIL)experiments.展开更多
基金supported by the National Key Research and Development Program of China(2022YFA1203602)the National Natural Science Foundation of China(Grant No.12025206)+1 种基金the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB0620101)the National Natural Science Foundations of China(Grant No.12202366).
文摘Anode-free lithium metal batteries are prone to capacity degradation and safety hazards due to the formation and growth of lithium dendrites.The interface between the current collector and deposited lithium plays a critical role in preventing dendrite formation by regulating the thermodynamics and kinetics of lithium deposition.In this study,we develop a phase field model to investigate the influence of the current collector’s surface energy on lithium deposition morphology and its effect on the quality of the lithium metal film.It is demonstrated that a higher surface energy of the current collector promotes the growth of lithium metal along the surface of the current collector.Further,our simulation results show that a higher surface energy accelerates the formation of the lithium metal film while simultaneously reducing its surface roughness.By examining different contact angles and applied potentials,we construct a phase diagram of deposition morphology,illustrating that increased surface energy facilitates the dense and uniform deposition of lithium metal by preventing the formation of lithium filaments and voids.These findings provide new insights into the development and application of anode-free lithium metal batteries.
基金funded by the National Natural Science Foundation of China(Grant No.12272020)Beijing Natural Science Foundation(Grant No.JQ21001)+1 种基金S.W.acknowledges support from the Fundamental Research Funds for the Central Universities(Grant No.YWF-23-SDHK-L-019)M.Y.acknowledges support from the National Natural Science Foundation of China(Grant Nos.12302134,12272173,and 11902150).
文摘Flexoelectricity is a two-way coupling effect between the strain gradient and electric field that exists in all dielectrics,regardless of point group symmetry.However,the high-order derivatives of displacements involved in the strain gradient pose challenges in solving electromechanical coupling problems incorporating the flexoelectric effect.In this study,we formulate a phase-field model for ferroelectric materials considering the flexoelectric effect.A four-node quadrilateral element with 20 degrees of freedom is constructed without introducing high-order shape functions.The microstructure evolution of domains is described by an independent order parameter,namely the spontaneous polarization governed by the time-dependent Ginzburg–Landau theory.The model is developed based on a thermodynamic framework,in which a set of microforces is introduced to construct the constitutive relation and evolution equation.For the flexoelectric part of electric enthalpy,the strain gradient is determined by interpolating the mechanical strain at the node via the values of Gaussian integration points in the isoparametric space.The model is shown to be capable of reproducing the classic analytical solution of dielectric materials incorporating the flexoelectric contribution.The model is verified by duplicating some typical phenomena in flexoelectricity in cylindrical tubes and truncated pyramids.A comparison is made between the polarization distribution in dielectrics and ferroelectrics.The model can reproduce the solution to the boundary value problem of the cylindrical flexoelectric tube,and demonstrate domain twisting at domain walls in ferroelectrics considering the flexoelectric effect.
基金This work is supported by the National Natural Science Foundation of China (51374263, 51674052)The authors are grateful for the Chongqing Research Program of Basic Research and Frontier Technology (cstc2018jcyjAX0003)National Natural Science Foundation of China (91634106, 51704048) is also acknowledged.
文摘A phase-field model for growth of iron whiskers that includes convection around a particle was investigated during the process of fluidized pre-reduction. In the simulations, the phase-field method was coupled with flow field and reduction of iron oxide particles. The results showed that the reduction rate at local place had significant effects on the iron ions diffusion and the iron whiskers were more easily grown on the area containing low mole fraction of oxygen. The growth of iron whiskers in the model was investigated in two important simple situations: a velocity change flow and a CO concentration change flow. Because of high reduction rate and low surface energy, iron whiskers were more easily grown on the windward surface and the length of iron whiskers increased with gas velocity increasing. However, both the length and numbers of iron whiskers increased with CO concentration increasing due to the more nucleation site of iron whiskers created by CO adsorbed. When the gas velocity is higher than 0.3 m/s or CO mole fraction is high than 0.6, the nucleation incubation time would be rapidly decreased, which could give suggestions to control the operational parameters in the fluidized pre-reduction process.
基金supported by National Natural Science Foundation of China under contract No.10964004Research Fund for the Doctoral Program of Higher Education of China under contract No.20070231001+1 种基金Natural Science Foundation of Gansu province under contract No. 096RJZA104Doctoral Fund of Lanzhou University of Technology under contract No.SB14200801
文摘Phase-field model was employed to quantitatively study the effect of convection on pattern selection and growth rate of 2D and 3D dendrite tip,as well as the effect of the different convection velocity on the dendritic growth.The calculated results show that crystal is asymmetric in the priority direction of growth under flow.The dentritic growth is promoted in the upstream region and suppressed in the downstream region.Convection can cause deviation in the dendrite growth direction and the preferred direction of the columnar crystals.It has been found that both primary dendrite stem and secondary dendrite arm deflect significantly towards upstream direction,secondary dendrite arm in upstream direction is more developed than the primary dendrite in downstream direction.
基金Project (50071046) supported by the National Natural Science Foundation of China Project (2002AA331051)supported by the National Hi-Tech Research and Development Program of China
文摘The evolution of ordered interphase boundary (IPB) of Ni75AlxV25-x alloys was simulated using the microscopic phase-field method. Based on the atomic occupation probability figure on 2D and order parameters, it was found that the IPB formed by different directions ofθ phase has great effect on the precipitation of γ ′ phase. The γ ′ phase precipitated at the IPB that is formed by [1 00]θ direction where the ( 001)θ plane is opposite, and then grows up and the shape is strap at final. The IPB structure between γ ′phase andθ phase is the same. There is no γ ′ phase precipitate at the IPB where the ( 002)θ and ( 001)θ planes are opposite, the ordered IPB is dissolved into disordered area. There is γ ′ phase precipitation at the IPB formed by the [ 001]θ and [1 00]θ directions, and the IPB structure is different between γ ′ phase and the different directions ofθ phase. The IPB where ( 001)γ′ and (1 00)θ plane opposite does not migrate during the γ ′ phase growth, and γ ′ phase grows along [1 00]θdirection.
基金supported by the Natural Science Foundation of China(Nos.51701091,12174210 and 52174346)Shandong Provincial Natural Science Foundation,China(Nos.ZR2020QE028 and ZR2022ME030)+2 种基金the Innovation Team of Higher Educational Science and Technology Program in Shandong Province(No.2019KJA025)the Research Foundation of Liaocheng University(No.318012119)the Science and Technology Innovation Foundation of Liaocheng University(No.CXCY2021139)。
文摘Since the discovery of ferromagnetic morphotropic phase boundary(MPB)in 2010,the connotation and extension of MPB have been becoming more and more abundant.Over the last dozen years,much experimental work has been done to design magnetostrictive materials based on the MPB principle.However,due to the difficulty in direct experimental observations and the complexity of theoretical treatments,the insight into the microstructure property relationships and underlying mechanisms near the ferromagnetic MPB has not been fully revealed.Here,we have reviewed our recent computer simulation work about the super-magnetoelastic behavior near the critical region of several typical materials.Phase-field modeling and simulation are employed to explore the domain configuration and engineering in single crystals as well as the grain size effect in polycrystals.Besides,a general nano-embryonic mechanism for superelasticity is also introduced.Finally,some future perspectives and challenges are presented to stimulate a deeper consideration of the research paradigm between multiscale modeling and material development.
基金National Natural Science Foundation of China(52375394,52275390,U23A20628,52305429)Major Project of Science and Technology in Shanxi(202301050201004)Natural Science Foundation of Shanxi Province(202403021222132)。
文摘Using multi-directional forging temperature as the independent variable and adopting the dual-mode phase field crystal model,the nucleation modes,reaction mechanisms,and interactions between grain boundaries and dislocations at different temperatures were investigated.Results show that a mapping relationship between process parameters and grain refinement/coarsening is established,and the optimal processing temperature coefficient is 0.23.Compared with the cases with processing temperature coefficient of 0.19,0.20,0.21,0.25,and 0.27,the refinement effect increases by 256.0%,146.0%,113.0%,6.7%,and 52.4%,respectively.Excessively high temperatures lead to grain coarsening due to dislocation annihilation,and the application of strain can reduce the actual melting point of materials.Even if the processing temperature does not exceed the theoretical melting point,remelting and crystallization may still occur,resulting in an overburning phenomenon that reduces internal defects and increases overall grain size.This research is of great significance for the actual forging process design.
文摘Epoxy resin is widely used in electrical insulation because of its excellent mechanical and insulating properties;however,its performance can degrade over time owing to thermal aging.This study focuses on developing a thermal aging region growth model for epoxy resin using the phase-field method.The reliability of the model is validated by applying a 20 MV/m electric field and observing the evolution of aging regions and the distribution of the internal energy density.A Gaussian-distributed aging region near the electrodes confirmed that the model accurately captured the uniform growth of aging regions under a constant electric field,with thermal energy playing a dominant role in the aging process.To examine the impact of internal defects,a fully aged region is introduced at the center of the simulation domain to simulate the effects of cavity discharge.The results indicated that while aging regions within defects grew rapidly,the overall growth remained slow and stable and is primarily influenced by charge diffusion.Further analysis explored the effects of the internal cavity defects near the electrodes.The presence of defects attracted the aging regions,causing them to grow uniformly without significant morphological changes,highlighting the interplay between thermal and charge-induced aging.The phase-field model effectively captures the dynamics of the aging regions influenced by internal defects,gradient energy,and charge diffusion.This comprehensive understanding enhances our ability to predict material degradation and informs the design of more reliable insulating materials for electrical applications.
基金National Natural Science Foundation of China(12372152)Guangdong Basic and Applied Basic Research Foundation(2023A1515011819,2024A1515012469)Shandong Provincial Natural Science Foundation(ZR2023MA058)。
文摘The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the TiNb binary alloy system during spinodal decomposition,and then the formation mechanism of core-shell structure was revealed.In addition,the influences of initial temperature gradient,average temperature,and initial concentration distribution of the system on the core-shell structure were investigated.Results show that the initial concentration gradient is the key factor for forming the core-shell structure.Besides,larger initial temperature gradient and higher average temperature can promote the formation of core-shell structure,which can be stabilized by adjusting the initial concentration distribution of the Nb-rich region in TiNb binary alloy.As a theoretical basis,this research provides a novel and simple strategy for the preparation of TiNb-based alloys and other materials with peculiar core-shell structures and desirable mechanical and physical properties.
基金National MCF Energy R&D Program of China(2018YFE0306100)Natural Science Foundation of Hunan Province for Distinguished Young Scholars(2021JJ10062)+1 种基金National Natural Science Foundation of China(52101028)China Postdoctoral Science Foundation(2021M703628)。
文摘Combining the phase-field method and the moving boundary method,a three-dimensional phase-field simulation was conducted for the growth and grain evolution of Ti films deposited by physical vapor deposition under different deposition rates and grain orientations.The evolution of grain morphology and grain orientation was also taken into consideration.Simulation results show that at lower deposition rates,the surface of the formed Ti film exhibits a distinct oriented texture structure.The surface roughness of the Ti film is positively correlated with the grain misorientation.Moreover,the surface roughness obtained from the simulation is in good agreement with the experiment results.
文摘Nonlinear Rossby waves are used to describe typical wave phenomena in large-scale atmosphere andocean.Owing to the nonlinearity of the involved problems,the weakly nonlinear method,ie the derivative ex-pansion method,was mainly used to investigate Rossby waves under the combined effects of the generalizedβ-effect and the basic flow effect.The derivative expansion method has the advantage of capturing the multi-scalecharacteristics of wave processes simultaneously.In the case where the perturbation expansion is independentof secular terms,the nonlinear equations describing the amplitude evolution of nonlinear waves were derived,such as the Korteweg-de Vries equation,the Boussinesq equation and Zakharov-Kuznetsov equation.Both quali-tative and quantitative analyses indicate that the generalizedβ-effect is the key factor inducing the evolution ofRossby solitary waves.
基金Doctoral Startup Fund(20192066,20212028)Laijin Excellent Doctoral Fund(20202021)+1 种基金Scientific and Technological Innovation of Colleges and Universities in Shanxi Province(2020L0342)Fundamental Research Program of Shanxi Province(202303021222178)。
文摘SiC/Al-based composite foams were prepared by a two-step foaming method.The influence of the SiC content and its distribution uniformity on the foaming stability,cell structure,and mechanical properties of the aluminum foams was investigated.The macro/micro-features of the aluminum foams were characterized and analyzed.Results demonstrate that an appropriate increase in SiC content and the uniform distribution of SiC can improve the foaming stability,optimize the cell diameter and cell wall thickness,ameliorate the cell distribution,and enhance the hardness and compressive strength of the aluminum foams.However,either insufficient or excessive SiC leads to uneven distribution of SiC particles,which is unfavorable to foaming stability and good cell structure formation.With 6wt%SiC,both the foaming stability and cell structure of the aluminum foam reach the optimal state,resulting in the highest compressive strength and optimal energy absorption capacity.
基金Supported in part by Natural Science Foundation of Guangxi(2023GXNSFAA026246)in part by the Central Government's Guide to Local Science and Technology Development Fund(GuikeZY23055044)in part by the National Natural Science Foundation of China(62363003)。
文摘In this paper,we consider the maximal positive definite solution of the nonlinear matrix equation.By using the idea of Algorithm 2.1 in ZHANG(2013),a new inversion-free method with a stepsize parameter is proposed to obtain the maximal positive definite solution of nonlinear matrix equation X+A^(*)X|^(-α)A=Q with the case 0<α≤1.Based on this method,a new iterative algorithm is developed,and its convergence proof is given.Finally,two numerical examples are provided to show the effectiveness of the proposed method.
基金National Natural Science Foundation of China under Grant Nos.U2139208 and 52278516Key Laboratory of Earthquake Engineering and Engineering Vibration,China Earthquake Administration under Grant No.2024D15Key Laboratory of Soft Soil Characteristic and Engineering Environment,Tianjin Chengjian University under Grant No.2022SCEEKL003。
文摘This study presents an effective hybrid simulation approach for simulating broadband ground motion in complex near-fault locations.The approach utilizes a deterministic approach based on the spectral element method(SEM),which is used to simulate low-frequency ground motion(f<1 Hz)by incorporating an innovative efficient discontinuous Galerkin(DG)method for grid division to accurately model basin sedimentary layers at reduced costs.It also introduces a comprehensive hybrid source model for high-frequency random scattering and a nonlinear analysis module for basin sedimentary layers.Deterministic outcomes are combined with modified three-dimensional stochastic finite fault method(3D-EXSIM)simulations of high-frequency ground motion(f>1 Hz).A fourth-order Butterworth filter with zero phase shift is employed for time-domain filtering of low-and high-frequency time series at a crossover frequency of 1 Hz,merging the low and high-frequency ground motions into a broadband time series.Taking an Ms 6.8 Luding earthquake,as an example,this hybrid method was used for a rapid and efficient simulation analysis of broadband ground motion in the region.The accuracy and efficiency of this hybrid method were verified through comparisons with actually observed station data and empirical attenuation curves.Deterministic method simulation results revealed the effects of mountainous topography,basin effects,nonlinear effects within the basin’s sedimentary layers,and a coupling interaction between the basin and the mountains.The findings are consistent with similar studies,showing that near-fault sedimentary basins significantly focus and amplify strong ground motion,and the soil’s nonlinear behavior in the basin influences ground motion to varying extents at different distances from the fault.The mountainous topography impacts the basin’s response to ground motion,leading to barrier effects.This research provides a scientific foundation for seismic zoning,urban planning,and seismic design in nearfault mountain basin regions.
基金Supported by the National Key Research and Development Program of China (2023YFB4102903)。
文摘This study systematically conducted preparation optimization and performance investigations on Co-modified Ce/TiO_(2) catalysts,with a focus on examining how preparation methods and Co loading regulate the catalyst’s low-temperature denitrification activity.After identifying optimal preparation parameters via condition screening,multiple characterization techniques-including BET,XRD,XPS,H_(2)-TPR and in situ DRIFTS-were employed to deeply analyze the catalyst’s physicochemical properties and reaction mechanism.Results demonstrated that compared to the impregnation and co-precipitation methods,the Ce-Co_(0.025)/TiO_(2)-SG catalyst(prepared by the sol-gel method with a Co/Ti mass ratio of 0.025)exhibited significantly superior denitrification activity:NO conversion remained stably above 95%in the 225−350℃ temperature range,and it displayed high N_(2) selectivity.Characterization analysis revealed that abundant surface oxygen vacancies,a high proportion of Ce^(3+) species,and prominent acidic sites collectively contributed to enhancing its low-temperature denitrification performance.This work provides reference value for the development of highly efficient low-temperature denitrification catalysts.
基金Supported by Shanghai Agriculture Applied Technology Development Program (Grant No.T20220120).
文摘[Objectives]This study was conducted to establish a quantitative assessment method for the textural quality of chieh-qua fruit.[Methods]Using two modes of a texture analyzer,namely TPA(texture profile analysis)and puncture,the index data of the fruit were obtained by setting different trigger forces,deformation levels,test speeds,as well as puncture speeds and puncture depths.The data included TPA hardness,adhesiveness,springiness,cohesiveness,gumminess,chewiness,resilience,as well as skin hardness,skin toughness,flesh hardness,fracturability,and compactness.[Results]Different deformation levels had a significant impact on all parameters.Hardness,adhesiveness,gumminess and chewiness showed a trend of first increasing and then decreasing with the deformation level increasing.When the deformation level was 30%,the adhesiveness,gumminess and chewiness reached their maximum values.When the deformation level was 50%,TPA hardness reached its maximum.When the compression speed was 3 mm/s,the measured values of TPA hardness,adhesiveness,chewiness,and resilience were at their maximums.The skin hardness varied significantly under different trigger forces.When the trigger force was 15 g,the skin hardness reached a maximum value of 944.63 g,and the skin toughness,flesh hardness,fracturability,and compactness also reach their maximum values respectively.When the puncture depth was 12 mm,the flesh hardness and skin toughness reached their maximums of 682.51 g and 1.82 mm,respectively.In the TPA mode,the flesh hardness of chieh-qua showed an extremely significant negative correlation with springiness,cohesiveness,and resilience(P<0.01).The fruit fracturability detected by puncture had an extremely significant positive correlation with compactness(P<0.01).[Conclusions]The evaluation method for measuring chieh-qua texture by combining TPA and the puncture mode could accurately and quantitatively reflect the differences in the flesh texture quality of chieh-qua.The optimal parameters for texture measurement of chieh-qua fruit were determined as a 15 g trigger force with 50%deformation and a 3 mm/s compression speed in TPA mode,and a 15 g trigger force with a 12 mm puncture depth in puncture mode.Puncture speed was found to have no significant effect on the texture indices of chieh-qua.
基金Project supported by the National Natural Science Foundation of China(Nos.52405095,12272089,and 92360305)the Guangdong Basic and Applied Basic Research Foundation of China(No.2023A1515110557)+4 种基金the Natural Science Foundation of Liaoning Province of China(No.2023-BSBA-102)the Open Fund of National Key Laboratory of Particle Transport and Separation Technology of China(No.WZKF-2024-6)the Open Project of Guangxi Key Laboratory of Automobile Components and Vehicle Technology of China(Nos.2024GKLACVTKF07 and 2024GKLACVTKF06)the Basic Research Projects of Liaoning Provincial Department of Education of China(No.JYTQN2023162)the Fundamental Research Funds for the Central Universities of China(No.N2403022)。
文摘The testing of large structures is limited by high costs and long cycles, making scaling methods an attractive solution. However, the scaling process of elastic rings introduces complexities in multi-parameter geometric distortions, leading to a diminution in the predictive accuracy of the distorted similitude. To address this challenge, this study formulates a novel set of scaling laws, tailored to account for the intricate geometric distortions associated with elastic rings. The proposed scaling laws are formulated based on the intrinsic deformation characteristics of elastic rings, rather than the traditional systemic governing equations. Numerical and experimental cases are conducted to assess the efficacy and precision of the proposed scaling laws, and the obtained results are compared with those achieved by traditional methods. The outcomes demonstrate that the scaling laws put forth by this study significantly enhance the predictive capabilities for deformations of elastic rings.
基金supported in part by the Mining Hydraulic Technology and Equipment Engineering Research Center,Liaoning Technical University,Fuxin,China(Grant No.MHTE23-R04)the Fundamental Research Funds for the Central Universities(ID N25BSS068).
文摘This study presents an implicit multiphysics coupling method integrating Computational Fluid Dynamics(CFD),the Multiphase Particle-in-Cell(MPPIC)model,and the Finite Element Method(FEM),implemented with OpenFOAM,CalculiX,and preCICE to simulate fluid-particle-structure interactions with large deformations.Mesh motion in the fluid field is handled using the radial basis function(RBF)method.The particle phase is modeled by MPPIC,where fluid-particle interaction is described through momentum exchange,and inter-particle collisions are characterized by collision stress.The structural field is solved by nonlinear FEM to capture large deformations induced by geometric nonlinearity.Coupling among fields is realized through a partitioned,parallel,and non-intrusive iterative strategy,ensuring stable transfer and convergence of interface forces and displacements.Notably,the influence of particles on the structure is not direct but mediated by the fluid,while structural motion directly affects particle dynamics.The results demonstrate that the proposed approach effectively captures multiphysics interaction processes and provides a valuable reference for numerical modeling of coupled fluid-particle-structure systems.
基金support provided by the National Natural Science Foundation of China(No.22273043).
文摘As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters.
基金supported by the Science and Technology Project of State Grid Corporation of China(5400-202199281A-0-0-00).
文摘In a multiple voltage source converter(VSC)system,the nonlinear characteristics of phase-locked loops(PLLs)and their interactions have a significant influence on the synchronization stability of converters.In this paper,these influences are investigated from the perspective of the time domain.First,a novel time-domain model of the multi-VSC system is obtained by using a multi-scale method.On this basis,a stability criterion is proposed to assess the synchronization stability of the system.Then,the accuracy of the time-domain model and its stability criterion in various conditions are discussed.Moreover,the negative impact of the interaction on the system is quantified.Finally,the above theoretical analysis is also verified in the controller hardware-in-the-loop(CHIL)experiments.
