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An Arbitrarily High Order and Asymptotic Preserving Kinetic Scheme in Compressible Fluid Dynamic
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作者 Remi Abgrall Fatemeh Nassajian Mojarrad 《Communications on Applied Mathematics and Computation》 EI 2024年第2期963-991,共29页
We present a class of arbitrarily high order fully explicit kinetic numerical methods in compressible fluid dynamics,both in time and space,which include the relaxation schemes by Jin and Xin.These methods can use the... We present a class of arbitrarily high order fully explicit kinetic numerical methods in compressible fluid dynamics,both in time and space,which include the relaxation schemes by Jin and Xin.These methods can use the CFL number larger or equal to unity on regular Cartesian meshes for the multi-dimensional case.These kinetic models depend on a small parameter that can be seen as a"Knudsen"number.The method is asymptotic preserving in this Knudsen number.Also,the computational costs of the method are of the same order of a fully explicit scheme.This work is the extension of Abgrall et al.(2022)[3]to multidimensional systems.We have assessed our method on several problems for two-dimensional scalar problems and Euler equations and the scheme has proven to be robust and to achieve the theoretically predicted high order of accuracy on smooth solutions. 展开更多
关键词 Kinetic scheme Compressible fluid dynamics High order methods Explicit schemes Asymptotic preserving Defect correction method
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Sparse-Grid Implementation of Fixed-Point Fast Sweeping WENO Schemes for Eikonal Equations
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作者 Zachary M.Miksis Yong-Tao Zhang 《Communications on Applied Mathematics and Computation》 EI 2024年第1期3-29,共27页
Fixed-point fast sweeping methods are a class of explicit iterative methods developed in the literature to efficiently solve steady-state solutions of hyperbolic partial differential equations(PDEs).As other types of ... Fixed-point fast sweeping methods are a class of explicit iterative methods developed in the literature to efficiently solve steady-state solutions of hyperbolic partial differential equations(PDEs).As other types of fast sweeping schemes,fixed-point fast sweeping methods use the Gauss-Seidel iterations and alternating sweeping strategy to cover characteristics of hyperbolic PDEs in a certain direction simultaneously in each sweeping order.The resulting iterative schemes have a fast convergence rate to steady-state solutions.Moreover,an advantage of fixed-point fast sweeping methods over other types of fast sweeping methods is that they are explicit and do not involve the inverse operation of any nonlinear local system.Hence,they are robust and flexible,and have been combined with high-order accurate weighted essentially non-oscillatory(WENO)schemes to solve various hyperbolic PDEs in the literature.For multidimensional nonlinear problems,high-order fixed-point fast sweeping WENO methods still require quite a large amount of computational costs.In this technical note,we apply sparse-grid techniques,an effective approximation tool for multidimensional problems,to fixed-point fast sweeping WENO methods for reducing their computational costs.Here,we focus on fixed-point fast sweeping WENO schemes with third-order accuracy(Zhang et al.2006[41]),for solving Eikonal equations,an important class of static Hamilton-Jacobi(H-J)equations.Numerical experiments on solving multidimensional Eikonal equations and a more general static H-J equation are performed to show that the sparse-grid computations of the fixed-point fast sweeping WENO schemes achieve large savings of CPU times on refined meshes,and at the same time maintain comparable accuracy and resolution with those on corresponding regular single grids. 展开更多
关键词 Fixed-point fast sweeping methods Weighted essentially non-oscillatory(WENO)schemes Sparse grids Static Hamilton-Jacobi(H-J)equations Eikonal equations
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Mixed Anti-diffusion Method for High Resolution Schemes
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作者 李荣华 张威威 《Northeastern Mathematical Journal》 CSCD 2004年第4期441-456,共16页
In this paper we study a kind of mixed anti-diffusion method for partial differntial equations. Firstly, we use the method to construct some difference schemes for the conservation laws. The schemes are of second orde... In this paper we study a kind of mixed anti-diffusion method for partial differntial equations. Firstly, we use the method to construct some difference schemes for the conservation laws. The schemes are of second order accuracy and are total variation decreasing (TVD). In particular, there are only three knots involved in the schemes. Secondly, we extend the method to construct a few high accuracy difference schemes for elliptic and parabolic equations. Numerical experiments are carried out to illustrate the efficiency of the method. 展开更多
关键词 Conservation law TVD-scheme E-scheme mixed anti-diffusion method high resolution scheme
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Migration-collision scheme of Lattice Boltzmann method for heat conduction problems involving solidification 被引量:1
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作者 Xia Li,~1 Yang Liu,~2 Yousheng Xu,~(1,a) Meiying Ye,~1 and Fengmin Wu~1 1.Department of Physics,Zhejiang Normal University,Jinhua 321004,China 2.Department of Mechanical Engineering,The Hong Kong Polytechnic University,Kowloon,Hong Kong,China 《Theoretical & Applied Mechanics Letters》 CAS 2011年第2期47-51,共5页
The phase-change problem is solved by the migration-collision scheme of lattice Boltzmann method.After formula derivation,we find that this method can give a rigorous numerical value for the phase-change temperature,w... The phase-change problem is solved by the migration-collision scheme of lattice Boltzmann method.After formula derivation,we find that this method can give a rigorous numerical value for the phase-change temperature,which is of crucial importance.One-dimensional solidification in half-space and two-dimensional solidification in a corner are simulated.The phase change temperature and the liquid-solid interface are both obtained,and the results conform to the analytical solution. 展开更多
关键词 Lattice Boltzmann method migration-collision scheme collision-migration scheme
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RHOMBUS THINKING METHOD AND ITS APPLICATION IN SCHEME DESIGN 被引量:3
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作者 Zhao Yanwei Wang Wanliang Science Research Center,Zhejiang University of Technology Zhang Guoxian Shanghai University 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2001年第2期156-159,共4页
Rhombus thinking, a new creative thinking method,is the combination of divergent thinking process and convergent thinking process,in which qualitative analysis is carried out before quantitative analysis This method... Rhombus thinking, a new creative thinking method,is the combination of divergent thinking process and convergent thinking process,in which qualitative analysis is carried out before quantitative analysis This method tries to solve the bottle neck problem in intelligent CAD based on the extension theory The rhombus thinking method to the scheme design of new products is applied In this process, firstly, the matter element expression for the know information are set up, and then a set of matter elements are opened up by matter elements extension method; Finally,the useful information are got by appraisal method of dependent degree It has been successfully applied to the scheme design for the cutter store of machining center Theoretical and experimental results demonstrated fhat the method is much more accurate,objective and efficient than the traditional one 展开更多
关键词 Extension theory Rhombus thinking method scheme design Artificial Intelligence
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Superconvergence of nonconforming finite element penalty scheme for Stokes problem using L^2 projection method 被引量:3
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作者 石东洋 裴丽芳 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2013年第7期861-874,共14页
A modified penalty scheme is discussed for solving the Stokes problem with the Crouzeix-Raviart type nonconforming linear triangular finite element. By the L^2 projection method, the superconvergence results for the v... A modified penalty scheme is discussed for solving the Stokes problem with the Crouzeix-Raviart type nonconforming linear triangular finite element. By the L^2 projection method, the superconvergence results for the velocity and pressure are obtained with a penalty parameter larger than that of the classical penalty scheme. The numerical experiments are carried out to confirm the theoretical results. 展开更多
关键词 SUPERCONVERGENCE Crouzeix-Raviart type nonconforming finite element penalty scheme L^2 projection method
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A SIMPLE PROOF OF STABILITY AND CONVERGENCE IN L_2 FOR SOME DIFFERENCE SCHEMES AND THEIR EXTRAPOLATION METHOD FOR PARABOLIC EQUATIONS 被引量:1
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作者 孙志忠 《Journal of Southeast University(English Edition)》 EI CAS 1994年第2期1-6,共6页
ASIMPLEPROOFOFSTABILITYANDCONVERGENCEINL_2FORSOMEDIFFERENCESCHEMESANDTHEIREXTRAPOLATIONMETHODFORPARABOLICEQU... ASIMPLEPROOFOFSTABILITYANDCONVERGENCEINL_2FORSOMEDIFFERENCESCHEMESANDTHEIREXTRAPOLATIONMETHODFORPARABOLICEQUATIONSSunZhizhong... 展开更多
关键词 simpld PROOF Wabelic equatiuns DIFFERENCE schemeS STABILITY convergenee EXTRAPOLATION method
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A New Multidimensional Time Series Forecasting Method Based on the EOF Iteration Scheme 被引量:3
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作者 张邦林 刘洁 孙照渤 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 1993年第2期243-247,共5页
In this paper a new .mnultidimensional time series forecasting scheme based on the empirical orthogonal function (EOF) stepwise iteration process is introduced. The scheme is tested in a series of forecast experiments... In this paper a new .mnultidimensional time series forecasting scheme based on the empirical orthogonal function (EOF) stepwise iteration process is introduced. The scheme is tested in a series of forecast experiments of Nino3 SST anomalies and Tahiti-Darwin SO index. The results show that the scheme is feasible and ENSO predictable. 展开更多
关键词 SST A New Multidimensional Time Series Forecasting method Based on the EOF Iteration scheme Nino EOF
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Implicit numerical scheme based on SMAC method for unsteady incompressible Navier-Stokes equations
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作者 Li Zhenlin Zhang Yongxue 《Petroleum Science》 SCIE CAS CSCD 2008年第2期172-178,共7页
An implicit numerical scheme is developed based on the simplified marker and cell (SMAC) method to solve Reynolds-averaged equations in general curvilinear coordinates for three-dimensional (3-D) unsteady incompre... An implicit numerical scheme is developed based on the simplified marker and cell (SMAC) method to solve Reynolds-averaged equations in general curvilinear coordinates for three-dimensional (3-D) unsteady incompressible turbulent flow. The governing equations include the Reynolds-averaged momentum equations, in which contravariant velocities are unknown variables, pressure-correction Poisson equation and k- s turbulent equations. The governing equations are discretized in a 3-D MAC staggered grid system. To improve the numerical stability of the implicit SMAC scheme, the higherorder high-resolution Chakravarthy-Osher total variation diminishing (TVD) scheme is used to discretize the convective terms in momentum equations and k- e equations. The discretized algebraic momentum equations and k- s equations are solved by the time-diversion multiple access (CTDMA) method. The algebraic Poisson equations are solved by the Tschebyscheff SLOR (successive linear over relaxation) method with alternating computational directions. At the end of the paper, the unsteady flow at high Reynolds numbers through a simplified cascade made up of NACA65-410 blade are simulated with the program written according to the implicit numerical scheme. The reliability and accuracy of the implicit numerical scheme are verified through the satisfactory agreement between the numerical results of the surface pressure coefficient and experimental data. The numerical results indicate that Reynolds number and angle of attack are two primary factors affecting the characteristics of unsteady flow. 展开更多
关键词 Unsteady incompressible flow SMAC method contravariant velocity TVD scheme cascade
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DIFFERENCE SCHEME AND NUMERICAL SIMULATION BASED ON MIXED FINITE ELEMENT METHOD FOR NATURAL CONVECTION PROBLEM
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作者 罗振东 朱江 +1 位作者 谢正辉 张桂芳 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2003年第9期1100-1110,共11页
The non_stationary natural convection problem is studied. A lowest order finite difference scheme based on mixed finite element method for non_stationary natural convection problem, by the spatial variations discreted... The non_stationary natural convection problem is studied. A lowest order finite difference scheme based on mixed finite element method for non_stationary natural convection problem, by the spatial variations discreted with finite element method and time with finite difference scheme was derived, where the numerical solution of velocity, pressure, and temperature can be found together, and a numerical example to simulate the close square cavity is given, which is of practical importance. 展开更多
关键词 nutural convection equation mixed element method finite difference scheme
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An efficient locally one-dimensional finite-difference time-domain method based on the conformal scheme
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作者 魏晓琨 邵维 +2 位作者 石胜兵 张勇 王秉中 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第7期74-82,共9页
An efficient conformal locally one-dimensional finite-difference time-domain(LOD-CFDTD) method is presented for solving two-dimensional(2D) electromagnetic(EM) scattering problems. The formulation for the 2D tra... An efficient conformal locally one-dimensional finite-difference time-domain(LOD-CFDTD) method is presented for solving two-dimensional(2D) electromagnetic(EM) scattering problems. The formulation for the 2D transverse-electric(TE) case is presented and its stability property and numerical dispersion relationship are theoretically investigated. It is shown that the introduction of irregular grids will not damage the numerical stability. Instead of the staircasing approximation, the conformal scheme is only employed to model the curve boundaries, whereas the standard Yee grids are used for the remaining regions. As the irregular grids account for a very small percentage of the total space grids, the conformal scheme has little effect on the numerical dispersion. Moreover, the proposed method, which requires fewer arithmetic operations than the alternating-direction-implicit(ADI) CFDTD method, leads to a further reduction of the CPU time. With the total-field/scattered-field(TF/SF) boundary and the perfectly matched layer(PML), the radar cross section(RCS) of two2 D structures is calculated. The numerical examples verify the accuracy and efficiency of the proposed method. 展开更多
关键词 conformal scheme locally one-dimensional(LOD) finite-difference time-domain(FDTD) method numerical dispersion unconditional stab
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High velocity flow simulation using lattice Boltzmann method with no-free-parameter dissipation scheme
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作者 ERDEMBILEGT J H B 封卫兵 张武 《Journal of Shanghai University(English Edition)》 CAS 2009年第6期454-461,共8页
A finite difference lattice Boltzmann method of second-order accuracy in time is developed based on non-oscillatory scheme with no-free-parameter dissipation (NND) difference scheme in this paper. The NND lattice Bo... A finite difference lattice Boltzmann method of second-order accuracy in time is developed based on non-oscillatory scheme with no-free-parameter dissipation (NND) difference scheme in this paper. The NND lattice Boltzmann method is used to simulate high-speed flows by constructing a new equilibrium distribution function of the lattice Boltzmann method. Compared with a variation of lattice Boltzmann method developed by Qu, et al., the present method can capture shock waves and handle oscillations of high velocity flows accurately in larger time steps and in shorter computing time. Numerical results indicate the correctness and capability of simulating shock wave interactions of the NND lattice Boltzmann method. 展开更多
关键词 lattice Boltzmann method (LBM) no-free-parameter dissipation (NND) scheme high velocity flow
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High Order Compact Difference Scheme and Multigrid Method for 2D Elliptic Problems with Variable Coefficients and Interior/Boundary Layers on Nonuniform Grids
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作者 Bin Lan Yongbin Ge +1 位作者 Yan Wang Yong Zhan 《Journal of Applied Mathematics and Physics》 2015年第5期509-523,共15页
In this paper, a high order compact difference scheme and a multigrid method are proposed for solving two-dimensional (2D) elliptic problems with variable coefficients and interior/boundary layers on nonuniform grids.... In this paper, a high order compact difference scheme and a multigrid method are proposed for solving two-dimensional (2D) elliptic problems with variable coefficients and interior/boundary layers on nonuniform grids. Firstly, the original equation is transformed from the physical domain (with a nonuniform mesh) to the computational domain (with a uniform mesh) by using a coordinate transformation. Then, a fourth order compact difference scheme is proposed to solve the transformed elliptic equation on uniform girds. After that, a multigrid method is employed to solve the linear algebraic system arising from the difference equation. At last, the numerical experiments on some elliptic problems with interior/boundary layers are conducted to show high accuracy and high efficiency of the present method. 展开更多
关键词 ELLIPTIC Equation COORDINATE Transformation High Order Compact Difference scheme MULTIGRID method Interior/Boundary Layer
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Velocity Projection with Upwind Scheme Based on the Discontinuous Galerkin Methods for the Two Phase Flow Problem
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作者 Jiangyong Hou Wenjing Yan Jie Chen 《International Journal of Modern Nonlinear Theory and Application》 2015年第2期127-141,共15页
The upwind scheme is very important in the numerical approximation of some problems such as the convection dominated problem, the two-phase flow problem, and so on. For the fractional flow formulation of the two-phase... The upwind scheme is very important in the numerical approximation of some problems such as the convection dominated problem, the two-phase flow problem, and so on. For the fractional flow formulation of the two-phase flow problem, the Penalty Discontinuous Galerkin (PDG) methods combined with the upwind scheme are usually used to solve the phase pressure equation. In this case, unless the upwind scheme is taken into consideration in the velocity reconstruction, the local mass balance cannot hold exactly. In this paper, we present a scheme of velocity reconstruction in some H(div) spaces with considering the upwind scheme totally. Furthermore, the different ways to calculate the nonlinear coefficients may have distinct and significant effects, which have been investigated by some authors. We propose a new algorithm to obtain a more effective and stable approximation of the coefficients under the consideration of the upwind scheme. 展开更多
关键词 VELOCITY PROJECTION UPWIND scheme PENALTY DISCONTINUOUS GALERKIN methods Two Phase Flow in Porous Media
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High-Order Semi-Lagrangian WENO Schemes Based on Non-polynomial Space for the Vlasov Equation
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作者 Andrew Christlieb Matthew Link +1 位作者 Hyoseon Yang Ruimeng Chang 《Communications on Applied Mathematics and Computation》 2023年第1期116-142,共27页
In this paper,we present a semi-Lagrangian(SL)method based on a non-polynomial function space for solving the Vlasov equation.We fnd that a non-polynomial function based scheme is suitable to the specifcs of the targe... In this paper,we present a semi-Lagrangian(SL)method based on a non-polynomial function space for solving the Vlasov equation.We fnd that a non-polynomial function based scheme is suitable to the specifcs of the target problems.To address issues that arise in phase space models of plasma problems,we develop a weighted essentially non-oscillatory(WENO)scheme using trigonometric polynomials.In particular,the non-polynomial WENO method is able to achieve improved accuracy near sharp gradients or discontinuities.Moreover,to obtain a high-order of accuracy in not only space but also time,it is proposed to apply a high-order splitting scheme in time.We aim to introduce the entire SL algorithm with high-order splitting in time and high-order WENO reconstruction in space to solve the Vlasov-Poisson system.Some numerical experiments are presented to demonstrate robustness of the proposed method in having a high-order of convergence and in capturing non-smooth solutions.A key observation is that the method can capture phase structure that require twice the resolution with a polynomial based method.In 6D,this would represent a signifcant savings. 展开更多
关键词 Semi-Lagrangian methods WENO schemes High-order splitting methods Non-polynomial basis Vlasov equation Vlasov-Poisson system
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A New Hybrid WENO Scheme with the High-Frequency Region for Hyperbolic Conservation Laws
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作者 Yifei Wan Yinhua Xia 《Communications on Applied Mathematics and Computation》 2023年第1期199-234,共36页
In this paper,a new kind of hybrid method based on the weighted essentially non-oscillatory(WENO)type reconstruction is proposed to solve hyperbolic conservation laws.Comparing the WENO schemes with/without hybridizat... In this paper,a new kind of hybrid method based on the weighted essentially non-oscillatory(WENO)type reconstruction is proposed to solve hyperbolic conservation laws.Comparing the WENO schemes with/without hybridization,the hybrid one can resolve more details in the region containing multi-scale structures and achieve higher resolution in the smooth region;meanwhile,the essentially oscillation-free solution could also be obtained.By adapting the original smoothness indicator in the WENO reconstruction,the stencil is distinguished into three types:smooth,non-smooth,and high-frequency region.In the smooth region,the linear reconstruction is used and the non-smooth region with the WENO reconstruction.In the high-frequency region,the mixed scheme of the linear and WENO schemes is adopted with the smoothness amplification factor,which could capture high-frequency wave efficiently.Spectral analysis and numerous examples are presented to demonstrate the robustness and performance of the hybrid scheme for hyperbolic conservation laws. 展开更多
关键词 Hybrid schemes WENO reconstruction Smoothness indicator Finite difference method
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Numerical Simulation of Bed Load and Suspended Load Sediment Transport Using Well-Balanced Numerical Schemes
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作者 J.C.González-Aguirre J.A.González-Vázquez +2 位作者 J.Alavez-Ramírez R.Silva M.E.Vázquez-Cendón 《Communications on Applied Mathematics and Computation》 2023年第2期885-922,共38页
Sediment transport can be modelled using hydrodynamic models based on shallow water equations coupled with the sediment concentration conservation equation and the bed con-servation equation.The complete system of equ... Sediment transport can be modelled using hydrodynamic models based on shallow water equations coupled with the sediment concentration conservation equation and the bed con-servation equation.The complete system of equations is made up of the energy balance law and the Exner equations.The numerical solution for this complete system is done in a seg-regated manner.First,the hyperbolic part of the system of balance laws is solved using a finite volume scheme.Three ways to compute the numerical flux have been considered,the Q-scheme of van Leer,the HLLCS approximate Riemann solver,and the last one takes into account the presence of non-conservative products in the model.The discretisation of the source terms is carried out according to the numerical flux chosen.In the second stage,the bed conservation equation is solved by using the approximation computed for the system of balance laws.The numerical schemes have been validated making comparisons between the obtained numerical results and the experimental data for some physical experiments.The numerical results show a good agreement with the experimental data. 展开更多
关键词 Sediment transport Suspended load Bed load Finite volume method Numerical simulation Well-balanced schemes
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Gas kinetic flux solver based finite volume weighted essentially non-oscillatory scheme for inviscid compressible flows
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作者 Lan JIANG Jie WU +1 位作者 Liming YANG Hao DONG 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2023年第6期961-980,共20页
A high-order gas kinetic flux solver(GKFS)is presented for simulating inviscid compressible flows.The weighted essentially non-oscillatory(WENO)scheme on a uniform mesh in the finite volume formulation is combined wit... A high-order gas kinetic flux solver(GKFS)is presented for simulating inviscid compressible flows.The weighted essentially non-oscillatory(WENO)scheme on a uniform mesh in the finite volume formulation is combined with the circular function-based GKFS(C-GKFS)to capture more details of the flow fields with fewer grids.Different from most of the current GKFSs,which are constructed based on the Maxwellian distribution function or its equivalent form,the C-GKFS simplifies the Maxwellian distribution function into the circular function,which ensures that the Euler or Navier-Stokes equations can be recovered correctly.This improves the efficiency of the GKFS and reduces its complexity to facilitate the practical application of engineering.Several benchmark cases are simulated,and good agreement can be obtained in comparison with the references,which demonstrates that the high-order C-GKFS can achieve the desired accuracy. 展开更多
关键词 circular function-based gas kinetic flux solver(C-GKFS) weighted essentially non-oscillatory(WENO)scheme compressible flow finite volume method
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Numerical experiment of anharmonic oscillators by using the symplectic scheme-shooting method 被引量:2
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作者 LIU Xue-shen, DING Pei-zhu (Institute of Atomic and Molecular Physics, Jilin University, Changchun 130023, P.R.China) 《原子与分子物理学报》 CAS CSCD 北大核心 2002年第2期119-125,共7页
Symplectic scheme-shooting method (SSSM) is applied to solve the energy eigenvalues of anharmonic oscillators characterized by the potentials V(x)=λx 4 and V(x)=(1/2)x 2+λx 2α with α=2,3,4 and doubly anharmonic os... Symplectic scheme-shooting method (SSSM) is applied to solve the energy eigenvalues of anharmonic oscillators characterized by the potentials V(x)=λx 4 and V(x)=(1/2)x 2+λx 2α with α=2,3,4 and doubly anharmonic oscillators characterized by the potentials V(x)=(1/2)x 2+λ 1x 4 +λ 2x 6, and a high order symplectic scheme tailored to the "time"-dependent Hamiltonian function is presented. The numerical results illustrate that the energy eigenvalues of anharmonic oscillators with the symplectic scheme-shooting method are in good agreement with the numerical accurate ones obtained from the non-perturbative method by using an appropriately scaled basis for the expansion of each eigenfunction; and the energy eigenvalues of doubly anharmonic oscillators with the sympolectic scheme-shooting method are in good agreement with the exact ones and are better than the results obtained from the four-term asymptotic series. Therefore, the symplectic scheme-shooting method, which is very simple and is easy to grasp, is a good numerical algorithm. 展开更多
关键词 SSSM 量子力学 哈密顿量 数值实验 非线性振荡 能量特征
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Arrhenius relationship and two-step scheme in AF hyperdynamics simulation of diffusion of Mg/Zn interface 被引量:1
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作者 吴永全 陆秀明 沈通 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2013年第2期508-516,共9页
The accelerating factor (AF) method is a simple and appropriate way to investigate the atomic long-time deep diffusion at solid-solid interface. In the framework of AF hyperdynamics (HD) simulation, the relationsh... The accelerating factor (AF) method is a simple and appropriate way to investigate the atomic long-time deep diffusion at solid-solid interface. In the framework of AF hyperdynamics (HD) simulation, the relationship between the diffusion coefficient along the direction of z-axis which is normal to the Mg/Zn interface and temperature was investigated, and the AF's impact on the diffusion constant (D0) and activation energy (Q^*) was studied. Then, two steps were taken to simulate the atomic diffusion process and the formation of new phases: one for acceleration and the other for equilibration. The results show that: the Arrhenius equation works well for the description of Dz with different accelerating factors; the AF has no effect on the diffusion constant Do in the case of no phase transition; and the relationship between Q* and Q conforms to Q^*=Q/A. Then, the new Arrhenius equation for AFHD is successfully constructed as Dz=Doexp[-Q/(ART)]. Meanwhile, the authentic equilibrium conformations at any dynamic moment can only be reproduced by the equilibration simulation of the HD-simulated configurations. Key words: accelerating factor method; Arrhenius equation; two-steps scheme; Mg/Zn interface; hyperdynamic simulation 展开更多
关键词 accelerating factor method Arrhenius equation two-steps scheme Mg/Zn interface hyperdynamic simulation
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