Polar marine equipment plays an important role in Arctic engineering,especially in the development of polar ships and ice-class propellers.When polar ships navigate in brash ice channels,the brash ice not only increas...Polar marine equipment plays an important role in Arctic engineering,especially in the development of polar ships and ice-class propellers.When polar ships navigate in brash ice channels,the brash ice not only increases resistance but also has adverse effects on their propulsion performance.On the basis of coupled computational fluid dynamics(CFD)and the discrete element method(DEM),this paper aims to numerically investigate the resistance and propulsion performance of a polar in a brash ice channel while considering the rotation status of the propeller by both experimental and numerical methods.Both ship resistance and ice motion under Froude numbers of 0.0557,0.0696,0.0836,0.975,and 0.1114 are studied when the propeller does not rotate.The influences of the rotating propeller on the ice brash resistance and flow are discussed.The thrust due to the propeller and ice resistance in the equilibrium state are also predicted.The errors between the thrust and total resistance are approximately 1.0%,and the maximum error between the simulated and predicted total resistance is 3.7%,which validates the CFD-DEM coupling method quite well.This work could provide a theoretical basis for the initial design of polar ships with low ice class notation and assist in planning navigation for merchant polar ships in brash ice fields.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(Grant No.2022YFE0107000)the Fundamental Research Funds for the Central Universities(Grant No.HYGJXM202319).
文摘Polar marine equipment plays an important role in Arctic engineering,especially in the development of polar ships and ice-class propellers.When polar ships navigate in brash ice channels,the brash ice not only increases resistance but also has adverse effects on their propulsion performance.On the basis of coupled computational fluid dynamics(CFD)and the discrete element method(DEM),this paper aims to numerically investigate the resistance and propulsion performance of a polar in a brash ice channel while considering the rotation status of the propeller by both experimental and numerical methods.Both ship resistance and ice motion under Froude numbers of 0.0557,0.0696,0.0836,0.975,and 0.1114 are studied when the propeller does not rotate.The influences of the rotating propeller on the ice brash resistance and flow are discussed.The thrust due to the propeller and ice resistance in the equilibrium state are also predicted.The errors between the thrust and total resistance are approximately 1.0%,and the maximum error between the simulated and predicted total resistance is 3.7%,which validates the CFD-DEM coupling method quite well.This work could provide a theoretical basis for the initial design of polar ships with low ice class notation and assist in planning navigation for merchant polar ships in brash ice fields.
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.
