The numerical manifold method,extensively utilized in numerical computations,faces significant challenges in generating complex manifold elements,particularly for three-dimensional applications.To overcome this challe...The numerical manifold method,extensively utilized in numerical computations,faces significant challenges in generating complex manifold elements,particularly for three-dimensional applications.To overcome this challenge,the meshfree numerical manifold method is developed by integrating the moving least-squares method into the numerical manifold method,effectively bypassing the need for meshing complex geometric objects.However,the implementation of the moving least-squares method introduces computational efficiency issues.To mitigate these,parallel computing methods have been incorporated,resulting in a tenfold increase in the speed of assembling the stiffness matrix with central processing unit parallelism,and a twentyfold increase with graphics processing unit parallelism.The static mechanical system equations for the meshfree numerical manifold method are derived using the Galerkin method.The method’s effectiveness and accuracy are then validated through a series of numerical experiments.The experiments demonstrated that the meshfree numerical manifold method achieves a high precision with minimal nodes and integration points.Additionally,positioning nodes outside the domain significantly improves computational accuracy at the boundaries.展开更多
Tidal waves,intermittent rainfall,and fluctuations in water levels,which create cyclic hydraulic gradients,can exacerbate the migration of fine particles within soils and lead to deterioration in stability.However,mac...Tidal waves,intermittent rainfall,and fluctuations in water levels,which create cyclic hydraulic gradients,can exacerbate the migration of fine particles within soils and lead to deterioration in stability.However,macroscale experimental methods struggle to capture the microscopic deformations that occur during seepage-induced erosion.Therefore,this study,which is based on the coupled computational fluid dynamics–discrete element method(CFD–DEM)coupling method,investigates the contact mechanical mechanisms that induce macroscopic deformation under cyclic hydraulic gradients by considering the effects of different amplitudes and frequencies.The results show that the erosion mass of fine particles increases in a stepwise manner,with a multipeak variation in the erosion rate,and both the erosion amount and intensity are greater under constant gradient conditions.Fine particles erode primarily near the contact surface and,after migration,accumulate mainly in the coarse particle layers close to the contact surface.Increasing the amplitude and frequency of the cyclic hydraulic gradient leads to more fine particle blockages within the coarse particle layer.The cyclic hydraulic gradient causes the contact force chain network to repeatedly break and reorganize,reducing the shear strengths of the soil and resulting in more pronounced anisotropy in the contact force distribution.展开更多
In the topology optimization of the multiscale structure,how to ensure the connectivity between adjacent microstructures,how to control the design space of microstructures,and how to reduce the amount of calculation a...In the topology optimization of the multiscale structure,how to ensure the connectivity between adjacent microstructures,how to control the design space of microstructures,and how to reduce the amount of calculation and improve calculation efficiency are three basic challenging issues currently faced.To this end,this paper proposes a data-driven approach to achieve the integrated optimization of macroscopic topology and microscopic configuration of the graded functional cellular structures.At the macro level,a topological description function is introduced to realize the topological control of the macrostructure.At the micro level,several cutting functions are used to realize the control of the configuration and size of the microstructure.The integrated optimization design of macro and micro cellular structures can be realized.Based on the computational homogenization method and numerical integration technology,an optimization problem independent offline microstructure database is established at the microscopic scale,where the relationship between the equivalent elastic parameters,relative pseudo-density,and design variables of the microstructure is stored.Based on this offline database,the entire topology optimization process is completed only on a macro scale,which greatly reduces the amount of calculation and improves calculation efficiency.In addition,implicit geometric modeling of full-scale cellular structures can be achieved using the reconstruction technique introduced in this work,which ensures smooth connection between adjacent microstructures.Finally,numerical examples are used to verify the effectiveness of the algorithm and the superiority of gradient cellular structures compared with single-scale structures.展开更多
To fundamentally alleviate the excavation chamber clogging during slurry tunnel boring machine(TBM)advancing in hard rock,large-diameter short screw conveyor was adopted to slurry TBM of Qingdao Jiaozhou Bay Second Un...To fundamentally alleviate the excavation chamber clogging during slurry tunnel boring machine(TBM)advancing in hard rock,large-diameter short screw conveyor was adopted to slurry TBM of Qingdao Jiaozhou Bay Second Undersea Tunnel.To evaluate the discharging performance of short screw conveyor in different cases,the full-scale transient slurry-rock two-phase model for a short screw conveyor actively discharging rocks was established using computational fluid dynamics-discrete element method(CFD-DEM)coupling approach.In the fluid domain of coupling model,the sliding mesh technology was utilized to describe the rotations of the atmospheric composite cutterhead and the short screw conveyor.In the particle domain of coupling model,the dynamic particle factories were established to produce rock particles with the rotation of the cutterhead.And the accuracy and reliability of the CFD-DEM simulation results were validated via the field test and model test.Furthermore,a comprehensive parameter analysis was conducted to examine the effects of TBM operating parameters,the geometric design of screw conveyor and the size of rocks on the discharging performance of short screw conveyor.Accordingly,a reasonable rotational speed of screw conveyor was suggested and applied to Jiaozhou Bay Second Undersea Tunnel project.The findings in this paper could provide valuable references for addressing the excavation chamber clogging during ultra-large-diameter slurry TBM tunneling in hard rock for similar future.展开更多
Discrete element method can effectively simulate the discontinuity,inhomogeneity and large deformation and failure of rock and soil.Based on the innovative matrix computing of the discrete element method,the highperfo...Discrete element method can effectively simulate the discontinuity,inhomogeneity and large deformation and failure of rock and soil.Based on the innovative matrix computing of the discrete element method,the highperformance discrete element software MatDEM may handle millions of elements in one computer,and enables the discrete element simulation at the engineering scale.It supports heat calculation,multi-field and fluidsolid coupling numerical simulations.Furthermore,the software integrates pre-processing,solver,postprocessing,and powerful secondary development,allowing recompiling new discrete element software.The basic principles of the DEM,the implement and development of the MatDEM software,and its applications are introduced in this paper.The software and sample source code are available online(http://gffzz7a728f6edf654f13hucww9nv5wunw66x6.ffgz.tsg.suse.edu.cn).展开更多
Background There is still limited data on predictive value of coronary computed tomography angiography(CCTA)–derived fractional flow reserve(CT-FFR) for long term outcomes. We examined the long-term prognostic value ...Background There is still limited data on predictive value of coronary computed tomography angiography(CCTA)–derived fractional flow reserve(CT-FFR) for long term outcomes. We examined the long-term prognostic value of CT-FFR combined with CCTA–defined atherosclerotic extent in diabetic patients with coronary artery disease(CAD).Methods A retrospective pooled analysis of individual patient data was performed. Deep-learning-based vessel-specific CTFFR was calculated. All patients enrolled were followed-up for at least 5 years. Predictive abilities for major adverse cardiac events(MACE) were compared among three models(model 1), constructed using clinical variables;model 2, model 1+CCTA–derived atherosclerotic extent(Leiden risk score);and model 3, model 2+CT-FFR.Results A total of 480 diabetic patients [median age, 61(55–66) years;52.9% men] were included. During a median follow-up time of 2197(2126–2355) days, 55 patients(11.5%) experienced MACE. In multivariate-adjusted Cox models, Leiden risk score(HR: 1.06;95% CI: 1.01–1.11;P = 0.013) and CT-FFR ≤ 0.80(HR: 6.54;95% CI: 3.18–13.45;P < 0.001) were the independent predictors. The discriminant ability was higher in model 2 than in model 1(C-index, 0.75 vs. 0.63;P < 0.001) and was further promoted by adding CT-FFR to model 3(C-index, 0.81 vs. 0.75;P = 0.002). Net reclassification improvement(NRI) was 0.19(P = 0.009) for model 2 beyond model 1. Of note, adding CT-FFR to model 3 also exhibited significantly improved reclassification compared with model 2(NRI = 0.14;P = 0.011).Conclusion In diabetic patients with CAD, CT-FFR provides robust and incremental prognostic information for predicting longterm outcomes. The combined model exhibits improved prediction abilities, which is beneficial for risk stratification.展开更多
The limited onboard cache and computing resources significantly constrain the computational service capabilities of individual edge satellites in hotspot regions.To address this challenge,we propose a twotier cloud-ed...The limited onboard cache and computing resources significantly constrain the computational service capabilities of individual edge satellites in hotspot regions.To address this challenge,we propose a twotier cloud-edge computing architecture that organizes edge satellites and their associated ground clouds into multiple collaborative domains.Within each domain,we formulate a joint optimization problem for computation offloading and service downloading under the constraints of edge satellites’service deployment and caching space,aiming to minimize the sum of weighted energy consumption and latency.The originally non-convex problem is transformed into a more tractable convex optimization formulation through variable relaxation.Subsequently,we develop an alternating direction method of multipliers(ADMM)-based distributed optimization framework that enables cooperative decision-making among domain satellites for the optimization of computational offloading,service downloading,and service deleting variables.Additionally,we propose an innovative binary variable recovery algorithm that ensures feasible conversion from continuous solutions to discrete decision variables while preserving constraint satisfaction.Extensive simulations demonstrate that our approach achieves lower task execution cost and packet loss rate compared with benchmarks.展开更多
Three-dimensional(3 D)reconstruction of icosahedral viruses has played a crucial role in the development of cryoelectron microscopy single-particle reconstruction,with many cryo-electron microscopy techniques first es...Three-dimensional(3 D)reconstruction of icosahedral viruses has played a crucial role in the development of cryoelectron microscopy single-particle reconstruction,with many cryo-electron microscopy techniques first established for structural studies of icosahedral viruses,owing to their high symmetry and large mass.This review summarizes the computational methods for icosahedral and symmetry-mismatch reconstruction of viruses,as well as the likely challenges and bottlenecks in virus reconstruction,such as symmetry mismatch reconstruction,contrast transformation function(CTF)correction,and particle distortion.展开更多
Theoretical and computational chemistry has profoundly impacted a wide range of disciplines,from chemistry and physics to biology and materials science.In recent years,remarkable advances in electronic structure theor...Theoretical and computational chemistry has profoundly impacted a wide range of disciplines,from chemistry and physics to biology and materials science.In recent years,remarkable advances in electronic structure theory,molecular dynamics,and machine learning methods——coupled with increasingly powerful algorithms and software—have equipped chemists with an unprecedented arsenal of tools to tackle complex chemical problems.展开更多
Numerical simulation is dominant in solving partial differential equations(PDEs),but balancing fine-grained grids with low computational costs is challenging.Recently,solving PDEs with neural networks(NNs)has gained i...Numerical simulation is dominant in solving partial differential equations(PDEs),but balancing fine-grained grids with low computational costs is challenging.Recently,solving PDEs with neural networks(NNs)has gained interest,yet cost-effectiveness and high accuracy remain a challenge.This work introduces a novel paradigm for solving PDEs,called multi-scale neural computing(MSNC),considering spectral bias of NNs and local approximation properties in the finite difference method(FDM).The MSNC decomposes the solution with a NN for efficient capture of global scale and the FDM for detailed description of local scale,aiming to balance costs and accuracy.Demonstrated advantages include higher accuracy(10 times for 1D PDEs,20 times for 2D PDEs)and lower costs(4 times for 1D PDEs,16 times for 2D PDEs)than the standard FDM.The MSNC also exhibits stable convergence and rigorous boundary condition satisfaction,showcasing the potential for hybrid of NN and numerical method.展开更多
This paper introduces a quantum lattice Boltzmann method for simulating complex flows.The proposed quantum scheme effectively overcomes the mismatch between the nonlinear collision in the standard lattice Boltzmann me...This paper introduces a quantum lattice Boltzmann method for simulating complex flows.The proposed quantum scheme effectively overcomes the mismatch between the nonlinear collision in the standard lattice Boltzmann method(LBM)and the linear quantum computing(QC)through a linearized non-equilibrium collision operator,and is successfully extended to the Navier-Stokes systems by designing a modular circuit for density and velocity calculations.Most importantly,the present approach ensures the unitary of quantum algorithms while keeping the collision relaxation parameter adjustable for simulating flows with different Reynolds numbers.The accuracy and practicality of the proposed method are demonstrated by simulating two typical flows,including lid-driven and natural convection flows in a square cavity at different Reynolds and Rayleigh numbers,respectively.This work offers a practical application of QC-based LBM for complex fluid dynamics problems.展开更多
Multi-body separation involving collisions is common in aerospace engineering.The ability to analyze the dynamics of multi-body collisions is rarely possessed by traditional Multi-Body Separation Simulation(MBSS)metho...Multi-body separation involving collisions is common in aerospace engineering.The ability to analyze the dynamics of multi-body collisions is rarely possessed by traditional Multi-Body Separation Simulation(MBSS)methods.To methodically address this challenging issue,a research study is conducted herein based on the MBSS in conjunction with an efficient and high-accuracy collision model.First,an MBSS based on the dynamic unstructured overset grid method is performed by solving the unsteady compressible Reynolds-averaged Navier-Stokes equations with the six-degree-offreedom rigid-body motion.Second,to detect object collisions and calculate collision factors with high accuracy and efficiency,a collision detection approach and a nearest distance calculation based methodology on the basis of computational fluid dynamics data structures and bounding volume hierarchies are originally proposed.Third,a transient multiple collision model is established to simulate an unlimited number of object collisions within a single time step.Finally,collision simulation experiments with balls and those of the space shuttle's collision with foreign objects are conducted to verify the accuracy,efficiency,and robustness of the newly developed approach.展开更多
We introduce the DARE-Q(Distribution-Aware Residual Entropy Quantization)method—a post-training quantization method for neural network weights designed to reduce bit-width with minimal degradation of model quality.Un...We introduce the DARE-Q(Distribution-Aware Residual Entropy Quantization)method—a post-training quantization method for neural network weights designed to reduce bit-width with minimal degradation of model quality.Unlike traditional approaches that solely optimize the mean squared error of weight approximation,DARE-Q additionally considers the entropy of the quantization residual,allowing for control over the statistical properties of the resulting error.The method is based on channel-wise symmetric uniform quantization with scaling based on a combined loss function that includes L2 distortion and entropy regularization.The DARE-Q method is implemented as a compact DAREQuantLinear module which can be easily integrated into standard transformer pipelines without changing the inference logic or using specific kernels.The experimental analysis was conducted on the language models facebook/opt-125m and facebook/opt-350m,which contain approximately 125 and 350 million parameters.The quality of the models was assessed using the standard perplexity metric(PPL)computed on the wikitext-2-raw-v1 dataset.DARE-Q is completely data-free and does not require model retraining or calibration data,which makes it the only viable option in privacy-sensitive or confidential environments where access to the original training data is restricted—precisely the setting where methods such as GPTQ and AWQ cannot be applied.The observed increase in PPL relative to data-dependent baselines reflects this fundamental trade-off rather than a shortcoming of the approach.By leveraging per-channel scale selection and a combined loss function,DARE-Q provides a flexible trade-off between approximation accuracy and quantization error structure,creating an attractive algorithmic basis for further improvement of model compression methods.展开更多
Correction to:Nuclear Science and Techniques(2026)37:45 http://gffzzd3cc09b8251d45dfsucww9nv5wunw66x6.ffgz.tsg.suse.edu.cn/10.1007/s41365-025-01860-8.In this article,Feng Xu should also have been denoted as a co-corresponding author.The original article has been corre...Correction to:Nuclear Science and Techniques(2026)37:45 http://gffzzd3cc09b8251d45dfsucww9nv5wunw66x6.ffgz.tsg.suse.edu.cn/10.1007/s41365-025-01860-8.In this article,Feng Xu should also have been denoted as a co-corresponding author.The original article has been corrected.展开更多
An extended multiscale finite element method(EMsFEM)is developed for solving the mechanical problems of heterogeneous materials in elasticity.The underlying idea of the method is to construct numerically the multiscal...An extended multiscale finite element method(EMsFEM)is developed for solving the mechanical problems of heterogeneous materials in elasticity.The underlying idea of the method is to construct numerically the multiscale base functions to capture the small-scale features of the coarse elements in the multiscale finite element analysis.On the basis of our existing work for periodic truss materials,the construction methods of the base functions for continuum heterogeneous materials are systematically introduced.Numerical experiments show that the choice of boundary conditions for the construction of the base functions has a big influence on the accuracy of the multiscale solutions,thus,different kinds of boundary conditions are proposed.The efficiency and accuracy of the developed method are validated and the results with different boundary conditions are verified through extensive numerical examples with both periodic and random heterogeneous micro-structures.Also,a consistency test of the method is performed numerically.The results show that the EMsFEM can effectively obtain the macro response of the heterogeneous structures as well as the response in micro-scale,especially under the periodic boundary conditions.展开更多
This paper presents the extension of the global description approach of a discontinuous function, which is proposed in the previous paper, to a spectral domain decomposition method. This multi-domain spectral immersed...This paper presents the extension of the global description approach of a discontinuous function, which is proposed in the previous paper, to a spectral domain decomposition method. This multi-domain spectral immersed interlace method(IIM) divides the whole computation domain into the smooth and discontinuous parts. Fewer points on the smooth domains are used via taking advantage of the high accuracy property of the spectral method, but more points on the discontinuous domains are employed to enhance the resolution of the calculation. Two that the domain decomposition technique can placed around the discontinuity. The present reached, in spite of the enlarged computational discontinuous problems are tested to verify the present method. The results show reduce the error of the spectral IIM, especially when more collocation points are method is t:avorable for the reason that the same level of the accuracy can be domain.展开更多
Most natural resources are processed as particle-fluid multiphase systems in chemical,mineral and material indus-tries,therefore,discrete particles methods(DPM)are reasonable choices of simulation method for engineeri...Most natural resources are processed as particle-fluid multiphase systems in chemical,mineral and material indus-tries,therefore,discrete particles methods(DPM)are reasonable choices of simulation method for engineering the relevant processes and equipments.However,direct application of these methods is challenged by the complex multiscale behavior of such systems,which leads to enormous computational cost or otherwise qualitatively inac-curate description of the mesoscale structures.The coarse-grained DPM based on the energy-minimization multi-scale(EMMS)model,or EMMS-DPM,was proposed to reduce the computational cost by several orders while main-taining an accurate description of the mesoscale structures,which paves the way for its engineering applications.Further empowered by the high-efficiency multi-scale DEM software DEMms and the corresponding customized heterogeneous supercomputing facilities with graphics processing units(GPUs),it may even approach realtime simulation of industrial reactors.This short review will introduce the principle of DPM,in particular,EMMS-DPM,and the recent developments in modeling,numerical implementation and application of large-scale DPM which aims to reach industrial scale on one hand and resolves mesoscale structures critical to reaction-transport coupling on the other hand.This review finally prospects on the future developments of DPM in this direction.展开更多
A discontinuous Galerkin finite element method (DG-FEM) is developed for solving the axisymmetric Euler equations based on two-dimensional conservation laws. The method is used to simulate the unsteady-state underex...A discontinuous Galerkin finite element method (DG-FEM) is developed for solving the axisymmetric Euler equations based on two-dimensional conservation laws. The method is used to simulate the unsteady-state underexpanded axisymmetric jet. Several flow property distributions along the jet axis, including density, pres- sure and Mach number are obtained and the qualitative flowfield structures of interest are well captured using the proposed method, including shock waves, slipstreams, traveling vortex ring and multiple Mach disks. Two Mach disk locations agree well with computational and experimental measurement results. It indicates that the method is robust and efficient for solving the unsteady-state underexpanded axisymmetric jet.展开更多
基金supported by the National Natural Science Foundation of China(Grant Nos.42272338 and 41902275)China Railway Tunnel Group Co.,Ltd.(Grant No.CZ02-08)+4 种基金Sichuan Transportation Science and Technology Program(Grant No.2018-ZL-02)Department of Transportation of Zhejiang Province(Grant No.202213)China Railway First Survey and Design Institute Group Co.,Ltd.(Grant No.2022KY53ZD(CYH)-10)Chongqing Institute of Geology and Mineral Resources(Grant No.TICG-K2024001)Special Project for Performance Incentive and Guidance of Scientific Research Institutions in Chongqing(Grant No.CSTB2023JXJL-YFX0006).
摘要The numerical manifold method,extensively utilized in numerical computations,faces significant challenges in generating complex manifold elements,particularly for three-dimensional applications.To overcome this challenge,the meshfree numerical manifold method is developed by integrating the moving least-squares method into the numerical manifold method,effectively bypassing the need for meshing complex geometric objects.However,the implementation of the moving least-squares method introduces computational efficiency issues.To mitigate these,parallel computing methods have been incorporated,resulting in a tenfold increase in the speed of assembling the stiffness matrix with central processing unit parallelism,and a twentyfold increase with graphics processing unit parallelism.The static mechanical system equations for the meshfree numerical manifold method are derived using the Galerkin method.The method’s effectiveness and accuracy are then validated through a series of numerical experiments.The experiments demonstrated that the meshfree numerical manifold method achieves a high precision with minimal nodes and integration points.Additionally,positioning nodes outside the domain significantly improves computational accuracy at the boundaries.
基金financially supported by the Natural Science Foundation of China(Grant Nos.52425805 and U2569208)Development Fund of Tunnel and Underground Engineering Research Center of Jiangsu Province(Grant No.2021-SDJJ-04).
摘要Tidal waves,intermittent rainfall,and fluctuations in water levels,which create cyclic hydraulic gradients,can exacerbate the migration of fine particles within soils and lead to deterioration in stability.However,macroscale experimental methods struggle to capture the microscopic deformations that occur during seepage-induced erosion.Therefore,this study,which is based on the coupled computational fluid dynamics–discrete element method(CFD–DEM)coupling method,investigates the contact mechanical mechanisms that induce macroscopic deformation under cyclic hydraulic gradients by considering the effects of different amplitudes and frequencies.The results show that the erosion mass of fine particles increases in a stepwise manner,with a multipeak variation in the erosion rate,and both the erosion amount and intensity are greater under constant gradient conditions.Fine particles erode primarily near the contact surface and,after migration,accumulate mainly in the coarse particle layers close to the contact surface.Increasing the amplitude and frequency of the cyclic hydraulic gradient leads to more fine particle blockages within the coarse particle layer.The cyclic hydraulic gradient causes the contact force chain network to repeatedly break and reorganize,reducing the shear strengths of the soil and resulting in more pronounced anisotropy in the contact force distribution.
基金supported by the National Natural Science Foundation of China(Grant Nos.12372200 and 12072242)。
摘要In the topology optimization of the multiscale structure,how to ensure the connectivity between adjacent microstructures,how to control the design space of microstructures,and how to reduce the amount of calculation and improve calculation efficiency are three basic challenging issues currently faced.To this end,this paper proposes a data-driven approach to achieve the integrated optimization of macroscopic topology and microscopic configuration of the graded functional cellular structures.At the macro level,a topological description function is introduced to realize the topological control of the macrostructure.At the micro level,several cutting functions are used to realize the control of the configuration and size of the microstructure.The integrated optimization design of macro and micro cellular structures can be realized.Based on the computational homogenization method and numerical integration technology,an optimization problem independent offline microstructure database is established at the microscopic scale,where the relationship between the equivalent elastic parameters,relative pseudo-density,and design variables of the microstructure is stored.Based on this offline database,the entire topology optimization process is completed only on a macro scale,which greatly reduces the amount of calculation and improves calculation efficiency.In addition,implicit geometric modeling of full-scale cellular structures can be achieved using the reconstruction technique introduced in this work,which ensures smooth connection between adjacent microstructures.Finally,numerical examples are used to verify the effectiveness of the algorithm and the superiority of gradient cellular structures compared with single-scale structures.
基金supported by the Fundamental Research Funds for the Central Universities(Grant No.2023YJS053)the National Natural Science Foundation of China(Grant No.52278386).
摘要To fundamentally alleviate the excavation chamber clogging during slurry tunnel boring machine(TBM)advancing in hard rock,large-diameter short screw conveyor was adopted to slurry TBM of Qingdao Jiaozhou Bay Second Undersea Tunnel.To evaluate the discharging performance of short screw conveyor in different cases,the full-scale transient slurry-rock two-phase model for a short screw conveyor actively discharging rocks was established using computational fluid dynamics-discrete element method(CFD-DEM)coupling approach.In the fluid domain of coupling model,the sliding mesh technology was utilized to describe the rotations of the atmospheric composite cutterhead and the short screw conveyor.In the particle domain of coupling model,the dynamic particle factories were established to produce rock particles with the rotation of the cutterhead.And the accuracy and reliability of the CFD-DEM simulation results were validated via the field test and model test.Furthermore,a comprehensive parameter analysis was conducted to examine the effects of TBM operating parameters,the geometric design of screw conveyor and the size of rocks on the discharging performance of short screw conveyor.Accordingly,a reasonable rotational speed of screw conveyor was suggested and applied to Jiaozhou Bay Second Undersea Tunnel project.The findings in this paper could provide valuable references for addressing the excavation chamber clogging during ultra-large-diameter slurry TBM tunneling in hard rock for similar future.
基金Financial supports from the Natural Science Foundation of China(41761134089,41977218)Six Talent Peaks Project of Jiangsu Province(RJFW-003)the Fundamental Research Funds for the Central Universities(14380103)are gratefully acknowledged.
摘要Discrete element method can effectively simulate the discontinuity,inhomogeneity and large deformation and failure of rock and soil.Based on the innovative matrix computing of the discrete element method,the highperformance discrete element software MatDEM may handle millions of elements in one computer,and enables the discrete element simulation at the engineering scale.It supports heat calculation,multi-field and fluidsolid coupling numerical simulations.Furthermore,the software integrates pre-processing,solver,postprocessing,and powerful secondary development,allowing recompiling new discrete element software.The basic principles of the DEM,the implement and development of the MatDEM software,and its applications are introduced in this paper.The software and sample source code are available online(http://gffzz7a728f6edf654f13hucww9nv5wunw66x6.ffgz.tsg.suse.edu.cn).
摘要Background There is still limited data on predictive value of coronary computed tomography angiography(CCTA)–derived fractional flow reserve(CT-FFR) for long term outcomes. We examined the long-term prognostic value of CT-FFR combined with CCTA–defined atherosclerotic extent in diabetic patients with coronary artery disease(CAD).Methods A retrospective pooled analysis of individual patient data was performed. Deep-learning-based vessel-specific CTFFR was calculated. All patients enrolled were followed-up for at least 5 years. Predictive abilities for major adverse cardiac events(MACE) were compared among three models(model 1), constructed using clinical variables;model 2, model 1+CCTA–derived atherosclerotic extent(Leiden risk score);and model 3, model 2+CT-FFR.Results A total of 480 diabetic patients [median age, 61(55–66) years;52.9% men] were included. During a median follow-up time of 2197(2126–2355) days, 55 patients(11.5%) experienced MACE. In multivariate-adjusted Cox models, Leiden risk score(HR: 1.06;95% CI: 1.01–1.11;P = 0.013) and CT-FFR ≤ 0.80(HR: 6.54;95% CI: 3.18–13.45;P < 0.001) were the independent predictors. The discriminant ability was higher in model 2 than in model 1(C-index, 0.75 vs. 0.63;P < 0.001) and was further promoted by adding CT-FFR to model 3(C-index, 0.81 vs. 0.75;P = 0.002). Net reclassification improvement(NRI) was 0.19(P = 0.009) for model 2 beyond model 1. Of note, adding CT-FFR to model 3 also exhibited significantly improved reclassification compared with model 2(NRI = 0.14;P = 0.011).Conclusion In diabetic patients with CAD, CT-FFR provides robust and incremental prognostic information for predicting longterm outcomes. The combined model exhibits improved prediction abilities, which is beneficial for risk stratification.
基金supported by the National Natural Science Foundation of China under Grant 62371098.
摘要The limited onboard cache and computing resources significantly constrain the computational service capabilities of individual edge satellites in hotspot regions.To address this challenge,we propose a twotier cloud-edge computing architecture that organizes edge satellites and their associated ground clouds into multiple collaborative domains.Within each domain,we formulate a joint optimization problem for computation offloading and service downloading under the constraints of edge satellites’service deployment and caching space,aiming to minimize the sum of weighted energy consumption and latency.The originally non-convex problem is transformed into a more tractable convex optimization formulation through variable relaxation.Subsequently,we develop an alternating direction method of multipliers(ADMM)-based distributed optimization framework that enables cooperative decision-making among domain satellites for the optimization of computational offloading,service downloading,and service deleting variables.Additionally,we propose an innovative binary variable recovery algorithm that ensures feasible conversion from continuous solutions to discrete decision variables while preserving constraint satisfaction.Extensive simulations demonstrate that our approach achieves lower task execution cost and packet loss rate compared with benchmarks.
基金Project supported by the National Key R&D Program of China(Grant No.2016YFA0501100)the National Natural Science Foundation of China(Grant Nos.91530321,31570742,and 31570727)Science and Technology Planning Project of Hunan Province,China(Grant No.2017RS3033)
摘要Three-dimensional(3 D)reconstruction of icosahedral viruses has played a crucial role in the development of cryoelectron microscopy single-particle reconstruction,with many cryo-electron microscopy techniques first established for structural studies of icosahedral viruses,owing to their high symmetry and large mass.This review summarizes the computational methods for icosahedral and symmetry-mismatch reconstruction of viruses,as well as the likely challenges and bottlenecks in virus reconstruction,such as symmetry mismatch reconstruction,contrast transformation function(CTF)correction,and particle distortion.
摘要Theoretical and computational chemistry has profoundly impacted a wide range of disciplines,from chemistry and physics to biology and materials science.In recent years,remarkable advances in electronic structure theory,molecular dynamics,and machine learning methods——coupled with increasingly powerful algorithms and software—have equipped chemists with an unprecedented arsenal of tools to tackle complex chemical problems.
基金supported by the National Natural Science Foundation of China(Grant No.92152301).
摘要Numerical simulation is dominant in solving partial differential equations(PDEs),but balancing fine-grained grids with low computational costs is challenging.Recently,solving PDEs with neural networks(NNs)has gained interest,yet cost-effectiveness and high accuracy remain a challenge.This work introduces a novel paradigm for solving PDEs,called multi-scale neural computing(MSNC),considering spectral bias of NNs and local approximation properties in the finite difference method(FDM).The MSNC decomposes the solution with a NN for efficient capture of global scale and the FDM for detailed description of local scale,aiming to balance costs and accuracy.Demonstrated advantages include higher accuracy(10 times for 1D PDEs,20 times for 2D PDEs)and lower costs(4 times for 1D PDEs,16 times for 2D PDEs)than the standard FDM.The MSNC also exhibits stable convergence and rigorous boundary condition satisfaction,showcasing the potential for hybrid of NN and numerical method.
基金supported by the National Natural Science Foundation of China(Grant No.12172203)Li Ka Shing Foundation STU-GTIIT Joint-research Grant(Grant No.2024LKSFG03).
摘要This paper introduces a quantum lattice Boltzmann method for simulating complex flows.The proposed quantum scheme effectively overcomes the mismatch between the nonlinear collision in the standard lattice Boltzmann method(LBM)and the linear quantum computing(QC)through a linearized non-equilibrium collision operator,and is successfully extended to the Navier-Stokes systems by designing a modular circuit for density and velocity calculations.Most importantly,the present approach ensures the unitary of quantum algorithms while keeping the collision relaxation parameter adjustable for simulating flows with different Reynolds numbers.The accuracy and practicality of the proposed method are demonstrated by simulating two typical flows,including lid-driven and natural convection flows in a square cavity at different Reynolds and Rayleigh numbers,respectively.This work offers a practical application of QC-based LBM for complex fluid dynamics problems.
基金supported by the National Numerical Windtunnel Project,China(No.NNW2019ZT7-B31)。
摘要Multi-body separation involving collisions is common in aerospace engineering.The ability to analyze the dynamics of multi-body collisions is rarely possessed by traditional Multi-Body Separation Simulation(MBSS)methods.To methodically address this challenging issue,a research study is conducted herein based on the MBSS in conjunction with an efficient and high-accuracy collision model.First,an MBSS based on the dynamic unstructured overset grid method is performed by solving the unsteady compressible Reynolds-averaged Navier-Stokes equations with the six-degree-offreedom rigid-body motion.Second,to detect object collisions and calculate collision factors with high accuracy and efficiency,a collision detection approach and a nearest distance calculation based methodology on the basis of computational fluid dynamics data structures and bounding volume hierarchies are originally proposed.Third,a transient multiple collision model is established to simulate an unlimited number of object collisions within a single time step.Finally,collision simulation experiments with balls and those of the space shuttle's collision with foreign objects are conducted to verify the accuracy,efficiency,and robustness of the newly developed approach.
基金supported by grant No.25-71-10012 from the Russian Science Foundation,http://gffzz5363282ec1d94f2dsucww9nv5wunw66x6.ffgz.tsg.suse.edu.cn/project/25-71-10012/.
摘要We introduce the DARE-Q(Distribution-Aware Residual Entropy Quantization)method—a post-training quantization method for neural network weights designed to reduce bit-width with minimal degradation of model quality.Unlike traditional approaches that solely optimize the mean squared error of weight approximation,DARE-Q additionally considers the entropy of the quantization residual,allowing for control over the statistical properties of the resulting error.The method is based on channel-wise symmetric uniform quantization with scaling based on a combined loss function that includes L2 distortion and entropy regularization.The DARE-Q method is implemented as a compact DAREQuantLinear module which can be easily integrated into standard transformer pipelines without changing the inference logic or using specific kernels.The experimental analysis was conducted on the language models facebook/opt-125m and facebook/opt-350m,which contain approximately 125 and 350 million parameters.The quality of the models was assessed using the standard perplexity metric(PPL)computed on the wikitext-2-raw-v1 dataset.DARE-Q is completely data-free and does not require model retraining or calibration data,which makes it the only viable option in privacy-sensitive or confidential environments where access to the original training data is restricted—precisely the setting where methods such as GPTQ and AWQ cannot be applied.The observed increase in PPL relative to data-dependent baselines reflects this fundamental trade-off rather than a shortcoming of the approach.By leveraging per-channel scale selection and a combined loss function,DARE-Q provides a flexible trade-off between approximation accuracy and quantization error structure,creating an attractive algorithmic basis for further improvement of model compression methods.
摘要Correction to:Nuclear Science and Techniques(2026)37:45 http://gffzzd3cc09b8251d45dfsucww9nv5wunw66x6.ffgz.tsg.suse.edu.cn/10.1007/s41365-025-01860-8.In this article,Feng Xu should also have been denoted as a co-corresponding author.The original article has been corrected.
基金supported by the National Natural Science Foundation(10721062,11072051,90715037,10728205,91015003,51021140004)the Program of Introducing Talents of Discipline to Universities(B08014)the National Key Basic Research Special Foundation of China(2010CB832704).
摘要An extended multiscale finite element method(EMsFEM)is developed for solving the mechanical problems of heterogeneous materials in elasticity.The underlying idea of the method is to construct numerically the multiscale base functions to capture the small-scale features of the coarse elements in the multiscale finite element analysis.On the basis of our existing work for periodic truss materials,the construction methods of the base functions for continuum heterogeneous materials are systematically introduced.Numerical experiments show that the choice of boundary conditions for the construction of the base functions has a big influence on the accuracy of the multiscale solutions,thus,different kinds of boundary conditions are proposed.The efficiency and accuracy of the developed method are validated and the results with different boundary conditions are verified through extensive numerical examples with both periodic and random heterogeneous micro-structures.Also,a consistency test of the method is performed numerically.The results show that the EMsFEM can effectively obtain the macro response of the heterogeneous structures as well as the response in micro-scale,especially under the periodic boundary conditions.
基金National Natural Science Foundation of China(51076006)
摘要This paper presents the extension of the global description approach of a discontinuous function, which is proposed in the previous paper, to a spectral domain decomposition method. This multi-domain spectral immersed interlace method(IIM) divides the whole computation domain into the smooth and discontinuous parts. Fewer points on the smooth domains are used via taking advantage of the high accuracy property of the spectral method, but more points on the discontinuous domains are employed to enhance the resolution of the calculation. Two that the domain decomposition technique can placed around the discontinuity. The present reached, in spite of the enlarged computational discontinuous problems are tested to verify the present method. The results show reduce the error of the spectral IIM, especially when more collocation points are method is t:avorable for the reason that the same level of the accuracy can be domain.
基金supported by the National Natural Sci-ence Foundation of China(Grant Nos.21978295,22078330,92034302 and 91834303)Innovation Academy for Green Manufacture,Chinese Academy of Sciences(Grant Nos.IAGM-2019-A03 and IAGM-2019-A13)+2 种基金Key Research Program of Frontier Sciences,Chinese Academy of Sciences(Grant No.QYZDJ-SSWJSC029)“Transformational Technologies for Clean Energy and Demonstration”Strategic Prior-ity Research Program of the Chinese Academy of Sciences(Grant No.XDA21030700)the Youth Innovation Promotion Association,Chinese Academy of Sciences(Grant No.2019050).
摘要Most natural resources are processed as particle-fluid multiphase systems in chemical,mineral and material indus-tries,therefore,discrete particles methods(DPM)are reasonable choices of simulation method for engineering the relevant processes and equipments.However,direct application of these methods is challenged by the complex multiscale behavior of such systems,which leads to enormous computational cost or otherwise qualitatively inac-curate description of the mesoscale structures.The coarse-grained DPM based on the energy-minimization multi-scale(EMMS)model,or EMMS-DPM,was proposed to reduce the computational cost by several orders while main-taining an accurate description of the mesoscale structures,which paves the way for its engineering applications.Further empowered by the high-efficiency multi-scale DEM software DEMms and the corresponding customized heterogeneous supercomputing facilities with graphics processing units(GPUs),it may even approach realtime simulation of industrial reactors.This short review will introduce the principle of DPM,in particular,EMMS-DPM,and the recent developments in modeling,numerical implementation and application of large-scale DPM which aims to reach industrial scale on one hand and resolves mesoscale structures critical to reaction-transport coupling on the other hand.This review finally prospects on the future developments of DPM in this direction.
摘要A discontinuous Galerkin finite element method (DG-FEM) is developed for solving the axisymmetric Euler equations based on two-dimensional conservation laws. The method is used to simulate the unsteady-state underexpanded axisymmetric jet. Several flow property distributions along the jet axis, including density, pres- sure and Mach number are obtained and the qualitative flowfield structures of interest are well captured using the proposed method, including shock waves, slipstreams, traveling vortex ring and multiple Mach disks. Two Mach disk locations agree well with computational and experimental measurement results. It indicates that the method is robust and efficient for solving the unsteady-state underexpanded axisymmetric jet.