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Words from the chief editor Song JIANG Chinese Journal of Computational Physics    2024, 41 (1): 1-1.   Abstract （87）   HTML （20）    PDF （550KB）（5980）       Knowledge map    Reference | Related Articles | Metrics

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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 Abstract （611）   HTML （26）    PDF （1957KB）（1550）       Knowledge map    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. Table and Figures | Reference | Related Articles | Metrics

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Algorithms for Solving Electronic Continuity Equation in Numerical Simulation of Semiconductor Devices Yi HU, Hengbin AN Chinese Journal of Computational Physics    2023, 40 (5): 570-582.   DOI: 10.19596/j.cnki.1001-246x.8656 Abstract （269）   HTML （13）    PDF （1063KB）（1193）       Knowledge map    For solving the discretized electronic continuity equation, two aspects of work are carried out. Firstly, the matrix of the discretized linear system is analyzed, and three types of characteristics of the matrix are obtained. Secondly, based on the characteristics of the matrix, the discretized electronic continuity equation is solved by preconditioned Krylov subspace methods, and the effectiveness of several types of preconditioned methods is compared and analyzed. The results show that the algebraic multigrid (AMG) preconditioned Krylov subspace method is very effective for solving discretized electronic continuity equations. A large-scale parallel scalability test of the AMG preconditioned Krylov subspace method for solving discretized electronic continuity equations is carried out, and the selection of three key algorithm parameters in the AMG method is compared and analyzed. Table and Figures | Reference | Related Articles | Metrics

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SEMD: A Cross-platform Automatic Performance Optimization Programming Tool for Real Numerical Simulation Software Peng ZHANG, Aiqing ZHANG, Zeyao MO, Jingtao WANG Chinese Journal of Computational Physics    2024, 41 (1): 52-63.   DOI: 10.19596/j.cnki.1001-246x.8777 Abstract （272）   HTML （6）    PDF （14870KB）（1169）       Knowledge map    Aiming at the lack of reusability and portability in the manual optimization of software, we propose and implement SEMD, a cross-platform automatic performance optimization programming tool for numerical simulation software. It abstracts numerical computing loop programming using high-level semantics, which is prevalent in the field of numerical simulation, completely shielding underlying hardware features and performance optimization implementations. Therefore, any numerical subroutines written based on SEMD can attain automatic cross-platform performance portability. Our tests demonstrate that SEMD's performance optimization effects exceed those of comparable products on three different processor architectures, including X86, ARM and GPU. Furthermore, SEMD has been successfully applied in the development of four real numerical simulation software programs in the fields of structure, fluid, and electromagnetic, resulting in an average performance improvement of 164% on hotspot subroutines. Table and Figures | Reference | Related Articles | Metrics

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A Algebraic Multigrid Algorithm Based on Hybrid Coarsening for Pressure Poisson Equation Shaoliang HU, Kailong XU, Ran XU, Zaigang LIU, Xiaowen XU, Hengbin AN, Ronghong FAN, Zhenyu WANG, Wei WANG Chinese Journal of Computational Physics    2023, 40 (5): 527-534.   DOI: 10.19596/j.cnki.1001-246x.8662 Abstract （364）   HTML （22）    PDF （4455KB）（1083）       Knowledge map    An algebraic multigrid (AMG) algorithm based on hybrid coarsening is proposed for the linear systems of the discrete pressure Poisson which is derived from the SIMPLE algorithm for the Navier-Stokes equations in complex flows. This algorithm combines a class of non-smoothed aggregation coarsening with classical C/F coarsening to construct grid hierarchy, hoping to reduce the cost in the setup phase of the AMG algorithm without affecting convergence. The high performance of the proposed algorithm is verified by numerical simulation of complex flow in the combustion chamber of aero-engine. The results show that the proposed algorithm can achieve 78% acceleration compared with the classical AMG algorithm. Table and Figures | Reference | Related Articles | Metrics

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Ion Temperature and Coulomb Coupling Parameter of Ultracold Neutral Plasma in Ion Equilibration Stage Feng FANG, Wenchang ZHOU, Changjie LUO, Yufan LI, Jie YANG Chinese Journal of Computational Physics    2023, 40 (3): 275-281.   DOI: 10.19596/j.cnki.1001-246x.8554 Abstract （251）   HTML （22）    PDF （2853KB）（1053）       Knowledge map    Using a newly developed velocity map imaging apparatus coupled with a magneto-optical trap, we measured ion temperature and Coulomb coupling parameter of ultracold neutral plasma (UNP). We carried out numerical simulation in early evolution of UNP. The experimental and simulation results showed that the disorder-induced heating mechanism led to a rapid rise in ion temperature during the ion equilibration, and the Coulomb coupling parameter dropped to 2.5. Furthermore, we found that the plasma expansion velocity would quickly approach the thermal velocity of ions in the ion equilibration, which results in a higher Coulomb coupling parameter than experimental values. Table and Figures | Reference | Related Articles | Metrics

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SPH Boundary Algorithm Based on Finite Difference Method and Its Application Jingxian PEI, Imin RAHMATJAN Chinese Journal of Computational Physics    2023, 40 (3): 343-352.   DOI: 10.19596/j.cnki.1001-246x.8559 Abstract （171）   HTML （4）    PDF （6817KB）（1023）       Knowledge map    Considering influence factors of virtual particle method in solving boundary problems, such as the increase of redundant calculation due to the large amount of particle search, we adopt SPH correction method in calculation domain, and use finite difference method at boundary, to realize a SPH boundary processing algorithm based on finite difference method. Taking the heat conduction problem as an example, the numerical simulation results are verified. It shows that as the proposed boundary treatment method is used to solve fixed and convective boundary heat conduction problems, numerical solution is in good agreement with analytical solution, and the numerical simulation process is reliable and effective. Advantages of the two algorithms complement each other, which provides a new idea for treatment of related boundary value problems. Table and Figures | Reference | Related Articles | Metrics

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Synchronization of Memristive Rulkov Neural Networks Lijun LIU, Duqu WEI Chinese Journal of Computational Physics    2023, 40 (3): 389-400.   DOI: 10.19596/j.cnki.1001-246x.8567 Abstract （342）   HTML （8）    PDF （16889KB）（1008）       Knowledge map    We investigate collective dynamics of memristor Rulkov neural networks depend on electrical synapses and chemical synapses. It is found that for two memristive Rulkov neurons, the system can be synchronized regardless of coupling mode. At different coupling strengths, the neurons present different firing patterns, such as square wave, triangular wave, pulse firing, etc. As electrical synapses and chemical synapses coexist, synchronization of the system is more dependent on the strength of electrical coupling. Synchronization of globally coupled memristive Rulkov neural networks is studied. It is shown that as chemical synapses act alone, synchronization occurs within a certain region of coupling parameters. The synchronization is disrupted as the chemical coupling strength exceeds a certain threshold. As electrical synapses act alone, the system can reach a synchronized state quickly. It is also found that electrical coupling strength is the key factor to determine whether neurons are at rest or firing. As electrical coupling strength increases, firing frequency and amplitude of neuron increase. As electrical and chemical couplings coexist, the increase of coupling strength makes the neurons turn into arc discharge and reach synchronization. It provides a possible way to control firing patterns and synchronization of neural networks by adjusting coupling pattern and coupling strength. Table and Figures | Reference | Related Articles | Metrics

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Optimizing Mass Exchange Network Using RWCE Algorithm with Individual Elimination Xiubao MA, Guomin CUI, Zhiqiang ZHOU, Yuan XIAO, Yue XU, Qiguo YANG Chinese Journal of Computational Physics    2023, 40 (3): 376-388.   DOI: 10.19596/j.cnki.1001-246x.8576 Abstract （177）   HTML （7）    PDF （6461KB）（1006）       Knowledge map    In the process of optimizing the mass exchange network by random walk algorithm with compulsive evolution, some individuals are in a long-term disadvantaged state in the competition and the individual structure is highly similar. RWCE algorithm with individual elimination is proposed to optimize the mass exchange network. That is, in a certain period, through the real-time monitoring of the optimal state of the individuals in the population, the network structure of the individual is first standardized, so as to identify the similar quality exchangers in the structure, and then evaluate the structural similarity of the individual according to its number. Divide the individuals in the population into several groups, and use the total annual cost as an indicator to evaluate the individual optimization performance, and eliminate the disadvantaged and similar individuals in the population. Strengthen the information exchange of individuals between populations, improve individual optimization vitality and population diversity, and effectively enhance the global search ability of the algorithm to optimize the mass exchange network. Applying this method to two examples of mass exchange networks, the optimization results are better than the best results in the literature, indicating that the method can change the evolution direction of the structure, stimulate the differential evolution of individuals between populations and maintain the optimization vitality of individuals, and effectively improve the global optimization performance of the algorithm. Table and Figures | Reference | Related Articles | Metrics

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Effect of Magnetic Configuration and Impurities with Neutral Beam Heating on EAST: Numerical Investigation Yuanyu LIU, Dong XIANG, Xueyu GONG, Xingqiang LU Chinese Journal of Computational Physics    2023, 40 (3): 282-290.   DOI: 10.19596/j.cnki.1001-246x.8548 Abstract （178）   HTML （10）    PDF （5116KB）（959）       Knowledge map    Effects of plasma configuration and effective ion charge (Zeff) with neutral beam heating on EAST are studied with guiding center codes ORBIT and TRANSP/NUBEAM. The resultes show that the fast-ion loss (including prompt and ripple losses) decreases as the distance between the last closed flux surface and the outer vessel wall in the mid-plane(gapout) and the toroidal magnetic field increases in the magnetic configuration. As a result the beam-ion confinement are enhanced and the heating efficiency is increased. Moreover, as the background plasma impurities increase, i.e., Zeff increases the beam-ion loss increases, resulting in the reduction of beam-ion heating efficiency. Thus, choosing appropriate magnetic configuration and reducing the background impurity content enhance the fast-ion confinement and improve the beam heating efficiency. Table and Figures | Reference | Related Articles | Metrics

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Nonlinear Iterative Methods for Radiation Diffusion Equations Hengbin AN, Zeyao MO Chinese Journal of Computational Physics    2024, 41 (1): 75-86.   DOI: 10.19596/j.cnki.1001-246x.8765 Abstract （257）   HTML （12）    PDF （1439KB）（954）       Knowledge map    To improve the robustness and convergence speed of the Newton method and Picard method of solving radiation diffusion equations, several work is introduced when they are used to solve the three temperature radiation diffusion equation system, including the selection of initial iteration value, the treatment of physical constraints in the iterative process, the combination of the Picard iterative method and Anderson acceleration, and the improvement of Anderson acceleration method. By applying application-driven treatments and improvements, the two methods can be used to solve the nonlinear radiation diffusion equations. Table and Figures | Reference | Related Articles | Metrics

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An Interpolating Element Free Galerkin Method Based on Self-adaptive Precise Algorithm in Time Domain and Its Application in Elastodynamics Shenshen CHEN, Xianyi ZHU, Qinghua LI Chinese Journal of Computational Physics    2023, 40 (3): 353-358.   DOI: 10.19596/j.cnki.1001-246x.8573 Abstract （164）   HTML （2）    PDF （2176KB）（944）       Knowledge map    Combining the interpolating element free Galerkin (IEFG) method and the self-adaptive precise algorithm in time domain, a novel algorithm is proposed for structural dynamic analysis in this paper. By expanding variables in each discretized time interval, the coupled spatial and temporal problem is transformed into a series of spatial problems, which are recursively solved by the IEFG method. The corresponding discretized governing equations for structural dynamic analysis are derived using the weighted residual technique. The proposed method can directly impose the essential boundary conditions directly and avoid possible loss of precision resulting from large time steps. The computational results shown in the numerical examples are satisfactory, which can demonstrate the effectiveness of the proposed method. Table and Figures | Reference | Related Articles | Metrics

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Meeting minutes of panel session of HPCMid22 Zeyao MO, Long WANG, Jie LIU, Guangming TAN, Weifeng LIU, Zhibin YU, Jidong ZHAI, Hailong YANG, Xiaowen XU Chinese Journal of Computational Physics    2024, 41 (1): 3-8.   DOI: 10.19596/j.cnki.1001-246x.8818 Abstract （223）   HTML （12）    PDF （658KB）（888）       Knowledge map    2022年12月12日, 第八届高性能计算中间件技术研讨会(HPCMid22)成功召开。HPCMid (会议网址: http://www.caep-scns.ac.cn/HPCMid.php)每年举办一次, 面向科学与工程计算数值模拟应用在当前及下一代超级计算机上面临的挑战, 围绕高性能计算中间件关键技术, 邀请相关学者报告最新研究进展并探讨未来发展趋势。第八届研讨会以"适配新型体系结构的性能优化技术"为主题, 聚焦后摩尔时代新型体系结构为科学与工程计算带来的机遇与挑战, 探讨新型体系结构下可移植性能优化技术的发展趋势。本届研讨会的专家座谈(Panel Session)环节由莫则尧研究员和徐小文研究员共同主持, 邀请了王龙、刘杰、谭光明、刘伟峰、喻之斌5位来自高校、科研院所、企业的专家围绕"性能优化: 个性vs共性"这一主题开展了深入的讨论与交流, 翟季冬、杨海龙等多位专家也参与了讨论。专家们针对性能优化技术的研究现状与发展趋势、面临的问题与挑战以及人才培养等方面发表了许多有启发性的观点。《计算物理》编辑部特将本次讨论整理后发表, 以飨读者。限于篇幅, 略有删节。 Reference | Related Articles | Metrics

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First-Principles Study on Elastic Properties and Electronic Structure of Ag-based Alloys Jia HU, Zhou YI, Dadong WEN, Yonghe DENG, Yun XIE, Shuangxiang QI, Jianmei QIU, Zhengyi LI, Ping PENG Chinese Journal of Computational Physics    2023, 40 (3): 369-375.   DOI: 10.19596/j.cnki.1001-246x.8590 Abstract （174）   HTML （4）    PDF （4712KB）（881）       Knowledge map    Based on the first principles, the physical parameters such as point defect formation enthalpy H, elastic constants C11, C12, C44, bulk modulus B, shear modulus G, Young's modulus E and Poisson's ratio γ that characterize the strength and toughness of materials in Ag-based alloys doped with alloying elements such as Cu, Zr, W, Cr, Sn, Ni, In, Zn, Ir were calculated in this paper. The difficulty of doping different alloy atoms in Ag matrix and the effects of the valence electron difference ΔV between the alloy atom and the Ag atom on the elastic properties of the Ag-based alloy were analyzed. With the increase of the ΔV, the ability of Ag-based alloys to resist plastic deformation, shear deformation and maintain crystal structure stability during shear deformation can be enhanced. Furthermore, differential charge density of Ag-based alloy projected on the {1 0 0} plane shows the spatial distribution of charge transfer before and after bonding. It is found that the enhanced elastic properties of Ag-base alloy can be attributed to the strong bonding between the alloy atom and Ag atom. Table and Figures | Reference | Related Articles | Metrics

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Viscous Regularization PINN Algorithm for Shallow Water Equations Supei ZHENG, Yunyun LIN, Jianhu FENG, Fang JIN Chinese Journal of Computational Physics    2023, 40 (3): 314-324.   DOI: 10.19596/j.cnki.1001-246x.8592 Abstract （269）   HTML （15）    PDF （11936KB）（877）       Knowledge map    Because of the shortcomings of classical PINN (Physical-informed Neural Networks) for discontinuous problems of shallow water equation, a regularized PINN algorithm based on viscous dissipative mechanism was proposed. In the network framework, the viscous regularized shallow water equation is used as the physical constraint and the penalty term in the loss function. Training network makes the smooth solution of the regularized equation approximate the discontinuous solution of the original equation. Finally, for one-dimensional and two-dimensional shallow water problems with different initial conditions, the numerical results show that the new algorithm has strong generalization ability, can predict the solution at any time, and has high resolution, without the phenomenon of spurious oscillation. Table and Figures | Reference | Related Articles | Metrics

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Numerical Simulation of Water-flooding Reservoirs Considering Permeability Time Variation Based on Mimetic Finite Difference Method Shaochun WANG, Shuoran FU, Lingkong GUO, Zhihao TANG, Na ZHANG, Qian SUN Chinese Journal of Computational Physics    2023, 40 (5): 597-605.   DOI: 10.19596/j.cnki.1001-246x.8628 Abstract （245）   HTML （11）    PDF （6512KB）（873）       Knowledge map    Since physical properties time variation influences the remaining oil distribution and reservoir development effect, a new method to simulate permeability time variation properties based on mimetic finite difference method is put forward. Firstly, well test permeability is fitted, and a water flooding mathematical model considering the variation of permeability based on scouring time of injected water is proposed. The model is discretized using mimetic finite difference method, which is described in details. Finally, an IMPES scheme is used for the solution of the model and the influence of different permeability multiples on distribution of residual oil, pressure, and streamline is analyzed. The results show that, when the permeability changes with time, more water channeling can occur, inducing a negative effect on oil production. Compared to traditional reservoir characterization methods, this technology reflects real condition of the block and can provide useful guidelines for further production optimization. Table and Figures | Reference | Related Articles | Metrics

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Experimental and Numerical Simulation of Boundary Layer Transition in Plane Cascade Tianye SUN, Baoshan ZHU, Hongbiao WANG Chinese Journal of Computational Physics    2023, 40 (3): 307-313.   DOI: 10.19596/j.cnki.1001-246x.8600 Abstract （191）   HTML （6）    PDF （9166KB）（855）       Knowledge map    Based on TSP (Temperature Sensitive Paints) technology, the experiment and numerical simulation of the boundary layer transition position of the plane cascade are carried out. The experimental results show that the temperature distribution on the surface of the plane cascade can be obtained by TSP measurement technology, and then the boundary layer transition position can be judged. The verification work was completed by CFD (Computational Fluid Dynamics) numerical method. Table and Figures | Reference | Related Articles | Metrics

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Hybrid Simulation of Non-resonant Fishbone Instabilities Excited by Passing Energetic Particles in EAST Tokamak Jingkun XU, Weihua WANG Chinese Journal of Computational Physics    2023, 40 (3): 291-300.   DOI: 10.19596/j.cnki.1001-246x.8565 Abstract （201）   HTML （4）    PDF （7360KB）（845）       Knowledge map    A hybrid simulation of non-resonant fishbone (NRF) instabilities with reversed safety factor profile is investigated with a global kinetic-magnetohydrodynamic (MHD) code (M3D-K). With EAST parameters, NRF instability can be driven by energetic particles as minimum safety factor is a little greater than unity. With analysis on energy resonance, physical mechanism of NRF excited by energetic particles at different angles is studied. Parameters such as injection energy E, Phot/Ptotal, are scanned to find parameter thresholds and change of fishbone instability. In addition, we analyze slowing-down distribution of energetic particles, evolution of mode structure and fishbone mode sweep in nonlinear process. A flattening trend of nonlinear slowing-down distribution at Λ = 0.6, 0.7, 1.0 is consistent with that of energetic particles in experiments. Mode structure evolves from that of NRF mode to those of other high-frequency modes at Λ = 0.6. The upward sweep frequency of fishbone is consistent with the sweep frequency of classical fishbone at Λ = 0.6. Table and Figures | Reference | Related Articles | Metrics

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Hexagonal Source Expansion Neutron Transport Discrete Ordinates Method and Acceleration Technique Zhiyong LI Chinese Journal of Computational Physics    2023, 40 (3): 301-306.   DOI: 10.19596/j.cnki.1001-246x.8571 Abstract （152）   HTML （5）    PDF （1218KB）（834）       Knowledge map    The source expansion neutron transport discrete ordinates method expresses the solution of differential form discrete ordinates by a sum of polynomial form particular solution and exponential function homogeneous solution. The incoming angular neutron flux can be used as boundary condition to determine the coefficients of homogeneous solution. The particular solution can be obtained directly with source expansion coefficients. Finally, the hexagonal neutron transport equation can be solved with source iteration. Discrete ordinates method normally converges slow and can be accelerated with coarse mesh finite method (CMFD). Numerical results indicates that eigenvalues and power distributions of the reference problems agrees well with reference results. The CMFD acceleration method achieves more than 20 times speedup in the study. Table and Figures | Reference | Related Articles | Metrics

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An Immersed Boundary Method for RANS Simulation of Compressible Turbulent Flows Wenhui HE, Tianmei PU, Chunhua ZHOU Chinese Journal of Computational Physics    2023, 40 (3): 325-332.   DOI: 10.19596/j.cnki.1001-246x.8563 Abstract （158）   HTML （5）    PDF （4123KB）（831）       Knowledge map    An immersed boundary method is proposed for RANS (Reynolds-Averaged Navier-Stokes) simulation of compressible turbulent flows. In the method reference points are no longer utilized in interpolation for solution reconstruction and flow variables at the mesh nodes in immediate vicinity of solid wall are determined with inverse distance weighting interpolation of those at surrounding computed nodes. To reduce the requirement of high near-wall mesh resolution in simulation of high-Reynolds-number turbulent flows, an explicit wall function is employed to transform the no-slip boundary condition into the no-penetration condition and a prescribed wall shear stress. The wall function does not need to be solved iteratively which improves computational efficiency. Numerical experiment for subsonic and transonic flows around RAE2822 airfoil verifies reliability of the method. Table and Figures | Reference | Related Articles | Metrics