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Flow Field Prediction Model Based on KAN and Dynamic Upsample
Shaobo CHANG, Zewei CHEN, Jiangeng YU, Ziyang LIU, Gang CHEN
Chinese Journal of Computational Physics    2024, 41 (6): 804-813.   DOI: 10.19596/j.cnki.1001-246x.8988
Abstract151)   HTML9)    PDF (10561KB)(286)      

In order to meet the demand for flow field prediction, this paper proposes KAN coupling model (KADS) combining Kolmogorov-Arnold network (KAN) and dynamic upsample (DySample: Upsampling by Dynamic Sampling), and uses two-dimensional diamond-shaped airfoil data to carry out flow field data prediction applications. In this paper, the activation function of the original KAN B-Spline is changed, and the KAN structures such as FourierKAN, GRBFKAN, RBFKAN, ChebyKAN are constructed, and their performance after coupling with DySample is evaluated. By comparing with the traditional MLP, it is found that ChebyKAN with Chebyshev polynomial as the activation function can achieve high accuracy with less training time and times, and there will be no overfitting during the test. The results show that the KADS model proposed in this paper can be applied to the task of flow field prediction and analysis, and can provide new modeling methods and ideas for the deep learning fluid intelligence modeling task.

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A Review of Algorithms and Applications of Solvers with Quantum Computing Acceleration
Kang XU, Zeyang LI, Zhufeng GUO, Yingtong SHEN, Wei WANG, Minhui GOU, Zizheng WANG, Yukun WANG, Weifeng LIU
Chinese Journal of Computational Physics    2024, 41 (1): 131-150.   DOI: 10.19596/j.cnki.1001-246x.8778
Abstract611)   HTML26)    PDF (1957KB)(1550)      

Quantum computing is a new computing model based on the principles of quantum mechanics. Because of its powerful parallelism far superior to classical computing, quantum computing is considered as a computational method that may have a subversive impact on the future, providing a new way to solve some complex problems. The algorithms and applications of quantum solvers in numerical computation-related problems of large-scale science and engineering are reviewed. In particular, systems of linear equations, eigenvalue problems, differential equations, Hamiltonian and graph computation, quantum machine learning, quantum solver platform, and practical numerical simulation have been introduced. Aiming at different numerical computing problems, the current mainstream quantum computing algorithms are introduced in detail, and the research progress of relevant algorithms at home and abroad in recent years is comprehensively summarized. Finally, the future development trend of quantum computing in numerical algebra solving is prospected.

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A Lane Changing Model Based on High Order Conservation Model and Support Vector Machine
Lican ZHANG, Mingmin GUO, Zhiyang LIN, Peng ZHANG, Yali DUAN
Chinese Journal of Computational Physics    2022, 39 (1): 83-95.   DOI: 10.19596/j.cnki.1001-246x.8339
Abstract176)   HTML3)    PDF (4453KB)(639)      

A lane changing model for multi-lane traffic flow is proposed.It makes use of advantages of Support Vector Machine (SVM) in a binary classification problem with multi-dimensional features and combines with Conserved Higher-Order traffic flow model (CHO) in Lagrange coordinates.The original data is generated with a fully discrete car following model and preprocessed by Synthetic Minority Oversampling Technique (SMOTE) algorithm.The SVM is trained with two indexes evaluation.It shows that the lane changing model based on SVM and CHO simulates effectively real multi-lane driving behavior based on current driving environment on expressway.

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Adsorption Mechanism of Two Organic Molecules with Different Polarities on Calcite (104) Surface: Density Functional Theory Study
CHAI Rukuan, LIU Yuetian, YANG Li, ZHANG Yixin, XIN Jing, MA Jing
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2020, 37 (2): 221-230.   DOI: 10.19596/j.cnki.1001-246x.8027
Abstract382)   HTML2)    PDF (11446KB)(1478)      
Density functional theory was employed to explore adsorption mechanism of benzoic acid and toluene molecules on calcite surface, and to analyze influence of polarity on the adsorption. It showed that benzoic acid was tilted adsorbed on CaCO3(104) surface in the form of undissociated molecules and in monodentate mode, while toluene was parallel adsorbed. Geometrical structure of organic molecules changed significantly during the adsorption, in which the deformation of benzoic acid was much greater than that of toluene. Meanwhile, electronic structure of the adsorption system was also changed. During the adsorption of benzoic acid, Ca-O ionic bond and H-O covalent bond were formed. However, there was only weak hydrogen bond between toluene and CaCO3(104) surface. Obviously, adsorption intensity of benzoic acid (polar molecule) on CaCO3(104) surface is greater than that of toluene (non-polar molecule). It provided theoretical support for EOR and mineral flotation engineering.
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Structural,Photoelectric and Magnetic Properties of Mn(SiO2)3(M=Fe,Co,Ni;n=1-3) Clusters
ZHI Lili, LI Yanqing, YANG Lianhong, ZHAO Gaofeng
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2014, 31 (6): 727-734.  
Abstract359)      PDF (4558KB)(1211)      
Equilibrium geometries,electronic and magnetic properties of Mn(SiO2)3(M= Fe,Co,Ni;n=1-3) clusters are systematically studied employing density functional theory with a generalized gradient approximation. It shows that Fe and Co atoms are easier to congregate on (SiO2)3 cluster than Ni atoms. It is found that stabler silica is an excellent matrix materials to carry islands of transition-metals. Energy gaps of Mn(SiO2)3(M=Fe,Co,Ni;n=1-3) clusters lie in near infrared radiation region. In analysis of magnetism,it is found that their magnetic moments are mainly located on transition-metal atoms. Fe2(SiO2)3 and Co3(SiO2)3 have greater magnetic moments,owing to coupling between d orbits of transition-metal atoms. Energy gap and magnetic property affirm a considerable foreground of magnetic-mulriple silica used for photodynamic target therapy in medical stage.
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3D Modified Novel PML Absorbing Boundary Condition for Truncating Magnetized Plasma
ZHENG Zhaowen, YANG Lixia
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2013, 30 (6): 895-901.  
Abstract450)      PDF (1275KB)(1102)      
We study absorbing boundary conditions (ABC) of novel perfectly matched layer (NPML) of three-dimensional truncated magnetized plasma. A modified NPML (M-NPML) method is presented. According to electromagnetic scattering theory of magnetized plasma, we stretch space variables of partial derivatives in Maxwell partial differential equations. In the stretched-scheme complex field splitting form is avoided as truncating ordinary media by PML method. Moreover, the scheme is much easier than uniaxial anisotropy perfectly matched layer (UPML) in programming. Simulation results fit analytical solutions, which shows validity of the M-NPML ABC algorithm.
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Near-to Far-zone Transformation in Half-space by FDTD:TE Case
JIANG Yannan, YANG Lixia, YU Xinhua
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2013, 30 (4): 554-558.  
Abstract359)      PDF (1200KB)(1159)      
A method to calculate far-zone scattering fields of a target in half-space excited by TE wave is proposed.Formulas of Green's function in a pair of vector potentials is derived,by which far-zone scattering field Hz can be calculated.Core of the method is calculation of electric and magnetic currents and their spatial phase in near-zone,which is elaborated.Far fields of an example are considered,which validates the method.Finally monostatic RCS of Type 96 armored vehicle is calculated.It is found that the maximum RCS is reached at head-in incidence case.
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A Modified Levenberg-Marquardt Algorithm for Relevant Parameter Identification of Defect with Infrared Inspection
LV Shigui, YANG Li, FAN Chunli, SUN Fengrui, WANG Weiqing
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2013, 30 (2): 214-220.  
Abstract301)      PDF (881KB)(1062)      
To overcome disadvantage of Levenberg-Marquardt(LM) algorithm,which can not keep geometric correlation of defect parameters,a modified method with fast convergence is presented.In a heat transfer model for a two-dimensional test piece with a subsurface rectangular defect,numerical experiments are conducted to verify effectiveness of the modified LM algorithm.Factors of initial guess and infrared temperature measurement error are considered.Conclusions are drown as follows: The modified LM algorithm keeps geometric correlation of defect parameters well and influence of initial guess is negligible;Identification accuracy of different defect parameters differs due to infrared temperature measurement errors.
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An Explicit-implicit Algorithm for Ghost Fluid Method
DING Yan, YUAN Li, YANG Li
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2013, 30 (1): 27-34.  
Abstract287)      PDF (1360KB)(1171)      
Based on operator splitting technique, Euler equations is splitted into convection part and non-convection part. A predicted solution is obtained by solving the convection part with explicit GFM method. It is corrected by an implicit pressure correction algorithm derived from the non-convection part. A second order primitive explicit-implicit algorithm is built. It shows that CFL condition can be relaxed and efficiency is improved.
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Thermographic Identification Algorithm of Two-dimensional Irregular-shaped Self-heating Subsurface Defects
FAN Chunli, SUN Fengrui, YANG Li
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2009, 26 (6): 897-902.  
Abstract338)      PDF (408KB)(1079)      
A two-dimensional heat transfer model is built and solved with finite element method to study temperature distribution on outer surface of a test piece with a self-heating subsurface defect. Based on conjugate gradient method, an algorithm is proposed for identification of subsurface defect with temperature on the outer surface of the teat piece measured with an infrared imager. Effectiveness of the method is validated by numerical experiments. It is concluded that the method identifies serf-heating defects with high precision for test pieces with small thermal conductivity. Effect of temperature measurement error, number of temperature measurement point and initial defect boundary guess on defect identification can be neglected. The greater the maximum temperature difference on outer test piece surface is, the higher precision of identification is.
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Surface-state Effects on Silicon Carbide Power MESFET's
YANG Lin-an, ZHANG Yi-men, YU Chun-li, YANG Yong-min, ZHANG Yu-ming
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2003, 20 (5): 418-422.  
Abstract296)      PDF (288KB)(1183)      
An analytical non-linear model including surface-state effect is proposed for 4H-SiC power MESFET's with which the impact of suface damage at the ungate recess region caused by the dry-etching process on the output steady-state characterization can be illustrated clearly.The model has the advantage in very simple calculations over the 2D numerical simulations, therefore suitable for process analysis of SiC power MESFET's.
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Scattering phase function for fibrous layer considering fiber orientation
Li Bingxi, Bie Rushan, Lu Huilin, Yang Lidan
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    1999, 16 (6): 592-598.  
Abstract273)      PDF (301KB)(964)      
Phase functions for fibrous layer are obtained for two types of fiber orientation:randomly oriented in space and randomly oriented in a plane parallel to the boundary surfaces of the layer.Two types of incident radiation are considered,namely,the radiation normal to the boundaries and the diffuse radiation.The phase functions for the fibrous layer are derived as a function of the polar angle measured within a coordinate system fixed to the fibrous layer.The effects of the type of incidence,size parameter,fiber orientation and complex refractive index are studied.
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AN UPWIND FEM SCHEME FOR ELECTROMAGNETIC FIELD PROBLEM IN MOVING CONDUCTOR
Shen Min, Deng Kang, Yang Linghui
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    1998, 15 (1): 65-70.  
Abstract272)      PDF (281KB)(939)      
The governing equation of electromagnetic field in moving conductor is of convective-diffusive type. To suppress the spurious oscillations which occur in its Galerkin FEM solution when the grid Peclet number is greater than one and to avoid an inappropriate treatment of diffusive term by Heinrich's upwind scheme, a modified upwind scheme of Heinrich's type is proposed. The scheme is applied to FEM analysis of several electromagnetic field problems in moving conductor.
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A THREE-DIMENSIONAL CIRCULATION MODEL AND ITS APPLICATION
Dou Zhenxing, Yang Lianwu
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    1993, 10 (1): 25-36.  
Abstract191)      PDF (726KB)(970)      
Present paper intents to provide a three dimensional circulation model which is universally applicable for continental shelf. The governing equations which are the three-dimensional, time-dependent and free surface, nonlinear Navier-Stokes equations are transformed into α,β,σ, t* coordinate system for increasing the resolution in vertical direction in shallow region and are solved together with their boundary conditions by finite difference technique. A space staggered grid system is employed for computation. For computational effeciency the model makes use of the concept on process-splitting which partition the fluid flow into two parts, and whereby the volume transport and vertical velocity shear are solved separately, The fast moving external gravity waves are treated by semi-implicit scheme (ADI )for advantage of great time-step and computational stability. An implicit scheme in vertical direction with leapfrog difference in time stepping is used to calculate the slow moving internal gravity waves. The finite difference equations can be demonstrated to by of second order accuracy in space and in time. The model has a good computational stability.To illustrate the application of present model to continental shelf sea, the tidal current in the Bohai Sea is computed. A good agreement of the computed results to the observed is achieved.
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