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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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Jie LIU, Shuo HUANG Chinese Journal of Computational Physics    2022, 39 (5): 505-509.   Abstract （695）   HTML （66）    PDF （1119KB）（1914）       Knowledge map    Related Articles | Metrics

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Interview archives: Building in-depth scientific understanding and cultivating strategic scientists Jie LIU, Shuo HUANG, Hongbo CAI Chinese Journal of Computational Physics    2023, 40 (2): 128-135.   Abstract （354）   HTML （46）    PDF （1075KB）（1657）       Knowledge map    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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Numerical Simulation of Debris Motion from a Near-space Nuclear Detonation Li LIU, Shengli NIU, Jinhui ZHU, Yinghong ZUO, Honggang XIE, Peng SHANG Chinese Journal of Computational Physics    2022, 39 (5): 521-528.   DOI: 10.19596/j.cnki.1001-246x.8492 Abstract （524）   HTML （30）    PDF （3546KB）（1526）       Knowledge map    Based on conservation of mass and momentum, a fluid dynamics model of debris motion from a near-space nuclear detonation is established. Many influence factors are considered, such as energy dissipation, air density as a function of height, gravity, increasing air temperature caused by X-ray deposition and radiation cooling. A computation program is developed. The expansion and upward motion of debris in TEAK and ORANGE tests are calculated. Evolution of typical parameters such as central height, maximum horizontal radius, ascending velocity, and shape of debris are given. They are in accordance with experimental data. The model provides delayed radiation source parameters for ionospheric effect and artificial radiation band effect. Table and Figures | Reference | Related Articles | Metrics

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First-Principles Calculations of Electronic and Optical Properties of Ge Doped AlN Qiang LUO, Zhiwei MA, Guanzhen JIANG, Jiangfeng ZOU, Yi QIU Chinese Journal of Computational Physics    2022, 39 (5): 609-616.   DOI: 10.19596/j.cnki.1001-246x.8483 Abstract （430）   HTML （30）    PDF （6728KB）（1509）       Knowledge map    With the first-principles method of density functional theory (DFT), the structure, electronic and optical properties of wurtzite AlN supercells were obtained by substituting Ge atoms for Al and N atoms, respectively. It shows that the structure changes obviously with doping. The lattice constants, volume and bond length along c-axis of AlN increase in both doping methods, and the lattice constants change satisfies Vegard's theorem. Forming energy of Ge atom substituted for Al atom is 5.41 eV, and that of Ge atom substituted for N atom is 5.58 eV. Stability of the doped systems is lower than that of pure AlN. Magnetism is not introduced in both doping methods, but the former introduces donor impurity band and an impurity band enters valence band, which makes it becomes negative energy gap metal. The latter introduces acceptant impurity band with a band gap of 0.910 eV. Both gaps are much smaller than intrinsic AlN band gap of 4.040 eV. Conductivity of the former is significantly improved, while conductivity of the latter may be improved. It is found that imaginary part of the complex refractive index function after doping in two ways is approximately no longer to 0 in the low energy region, indicating that the absorption ability of AlN materials to low frequency electromagnetic wave is enhanced in both doping ways. Imaginary part of dielectric function of the former has a new peak in low energy region, while the latter has no obvious peak in that region. The former has a stronger absorption capacity of long wave. The energy loss is reduced in both. Table and Figures | Reference | Related Articles | Metrics

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A Parallel Two-level Stablized Finite Element Algorithm for Incompressible Flows Jiali ZHU, Yueqiang SHANG Chinese Journal of Computational Physics    2022, 39 (3): 309-317.   DOI: 10.19596/j.cnki.1001-246x.8411 Abstract （271）   HTML （19）    PDF （5666KB）（1389）       Knowledge map    A parallel two-level Grad-div stabilized finite element algorithm for steady incompressible Stokes equations is proposed. Basic idea of the algorithm is to solve global Grad-div stabilized solution in a coarse mesh firstly, and then correct it in parallel on overlapping fine mesh subdomains. With reasonable selection of stabilization parameters and mesh sizes, an optimal convergence rate can be obtained. Numerical results verify efficiency of the algorithm. Table and Figures | Reference | Related Articles | Metrics

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Hybrid Fluid-PIC Modeling and Its Application in Laser Fusion Hongbo CAI, Yupei XU, Peilin YAO, Enhao ZHANG, Hanxiao HUANG, Shaoping ZHU, Xiantu HE Chinese Journal of Computational Physics    2023, 40 (2): 159-168.   DOI: 10.19596/j.cnki.1001-246x.8602 Abstract （118）   HTML （11）    PDF （6420KB）（1329）       Knowledge map    The influence of plasma effect on the shock wave and hydrodynamic instabilities is a widely concerned problem in the current research of laser fusion. However, due to the limitations of the numerical simulation methods, there is still a lack of research tools on this issue. In this work, a hybrid fluid PIC(particle-in-cell) simulation method is established tentatively. Electrons are described by a massless fluid, and multi-component ions are described by PIC method; The fluid motion is obtained by solving the equations of electro-magnetohydrodynamic, and the electromagnetic fields are obtained by solving Ohm's law and Faraday's law. Aiming at the plasma condition of laser fusion, we use hybrid fluid-PIC simulation to study the shock wave structure and its characteristics in high energy density conditions, and the influence of plasma effect on the evolution of hydrodynamic instabilities. Hybrid fluid-PIC physical modeling provides a new research method for studying the effect of plasma effect on shock wave and hydrodynamic instabilities under high energy density. Table and Figures | Reference | Related Articles | Metrics

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Power System Chaos Prediction Based on DLSTM with Genetic Attention Mechanism Yingdong LU, Duqu WEI Chinese Journal of Computational Physics    2022, 39 (3): 371-378.   DOI: 10.19596/j.cnki.1001-246x.8400 Abstract （290）   HTML （18）    PDF （4468KB）（1320）       Knowledge map    A deep learning algorithm using deep long short-term memory and genetic attention mechanism (DLSTM-GA) is proposed for the prediction of chaotic behavior of power system. With shared parameters, attention mechanism is added to optimize DLSTM model based on genetic algorithm. One can find potential characteristics in time sequence and avoid the local optimization. Inspired by evolutionary computation of optimization method, the method is a good way to learn parameters in the attention layer. It shows that the trained DLSTM-GA network not only has higher prediction accuracy than the reference model, but also has long-term prediction ability. Table and Figures | Reference | Related Articles | Metrics

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汤涛 Chinese Journal of Computational Physics    2023, 40 (1): 4-13.   DOI: 10.19596/j.cnki.1001-246x.8620 Abstract （637）   HTML （40）    PDF （6919KB）（1313）       Knowledge map    Table and Figures | Related Articles | Metrics

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Mass Exchanger Network Synthesis Based on Random Walk Algorithm with Compulsive Evolution Xiu-bao MA, Zhao-liang GAI, Guo-min CUI, Zhi-qiang ZHOU, Xin-yu HAN, Qi-guo YANG Chinese Journal of Computational Physics    2022, 39 (4): 479-490.   DOI: 10.19596/j.cnki.1001-246x.8465 Abstract （157）   HTML （3）    PDF （1461KB）（1272）       Knowledge map    Aiming at shortcomings of existing mass exchanger network optimization methods, a random walk algorithm with compulsive evolution for mass exchanger network synthesis is proposed, in which the mass transfer load, split ratio and the flow of lean streams of mass exchanger are increased or reduced randomly. A minimum threshold is set to realize synchronous optimization of network continuity and integer variables. A small probability is retained to accept the difference solution. It enhances mutation ability of the structure, and makes the algorithm taking into account global search and local search of mass exchanger network. Application in two mass exchanger network examples show that the optimization results are better than those in current literatures. The algorithm maintains independent evolution between individuals and has good global and local search ability. Table and Figures | Reference | Related Articles | Metrics

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Power System Critical Node Identification Based on Subnetwork Partition Yanli ZOU, Shuyi TAN, Xinyan LIU, Shaoze ZHANG, Haoqian LI Chinese Journal of Computational Physics    2022, 39 (3): 361-370.   DOI: 10.19596/j.cnki.1001-246x.8398 Abstract （390）   HTML （13）    PDF （5966KB）（1256）       Knowledge map    With power grid topology and power flow tracing technology, a method for identifying key nodes of a power grid based on subnet division is proposed. Firstly, generator nodes are divided into subsets according to their neighborhood information and power. Then, with power flow tracking technology, a coefficient distribution matrix of the power grid is obtained. Next, a load node is divided into a generator node subset which offer the maximum power according to the coefficient distribution matrix. A multi-attribute decision-making method is used to sort the nodes in each subnet. The structure coefficient of subnet is further improved and calculated an index for measuring importance of the subnet. According to the importance of subnets, a specific proportion of candidate key nodes are extracted from each subnet. These candidate nodes are reordered with multi-attribute decision-making method to obtain the final ranking of the key nodes. Taking IEEE14, IEEE57 and IEEE118-node systems as examples, subnet division results and ranking results of important nodes of standard networks are obtained. Our method, PageRank method and multi-attribute decision-making method are used to sort key nodes, respectively. Cascade fault performance experiment and network efficiency performance are carried out on the key nodes with top ranking. It shows that the key nodes selected by the proposed algorithm have the greatest impact on propagation performance of the entire network. Table and Figures | Reference | Related Articles | Metrics

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An HLLC Riemann Solver for MHD Tangential Discontinuities Xinyue XI, Xiaocheng GUO, Chi WANG Chinese Journal of Computational Physics    2022, 39 (3): 286-296.   DOI: 10.19596/j.cnki.1001-246x.8426 Abstract （345）   HTML （15）    PDF （5394KB）（1240）       Knowledge map    Compared with those of hydrodynamics, the existence of magnetic field leads to extra characteristic waves for magnetohydrodynamics (MHD), and further leads to an inconsistency of jump condition across the contact discontinuity. Usually, for the magnetic field variables in an HLLC Riemann solver, a single HLL intermediate state is used to replace two HLLC intermediate states to achieve conservation and computational stability, at the cost of insufficient simulation accuracy for tangential discontinuity. In this paper, a previouly developed HLLC solver is specially constructed to deal with MHD tangential discontinuities accurately and satisfy the so-called Toro condition. With numerical tests, such as the time-dependent simulation of one-dimensional shock tube, the tangential discontinuities, and the global MHD simulation of Earth's magnetosphere, we compare numerical results of the modified HLLC solver with those of the standard HLLC and HLLD solvers. It indicates that the modified HLLC solver has better capture accuracy for tangential discontinuities than the previously developed HLLC solver, and has the accuracy of the more time-consuming HLLD solver in some situations. Table and Figures | Reference | Related Articles | Metrics

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A Diffused Interface Type Mass Fraction Model with Time Steps Saving Mixture Rules Zongduo WU, Jin YAN, Zhi ZONG, Jianhua PANG Chinese Journal of Computational Physics    2022, 39 (5): 510-520.   DOI: 10.19596/j.cnki.1001-246x.8453 Abstract （254）   HTML （39）    PDF （2128KB）（1233）       Knowledge map    We focused on effects of treatment of mixture model as the interface is in a diffused style. In order to seek a convenient way to treat the interface and keep strong adaptability, Mie-Grüneisen mixture model is used. The original Mie-Grüneisen mixture model in terms of volume fraction is modified. In the model, the mass fraction is employed as color function, and the optimization of sound speed is achieved with the help of the density of fluid components. The optimized sound speed reduces time steps under the convergence mechanism and promotes efficiency of the calculation. Meanwhile, the introduction of limiter make the pressure curves stable. Numerical tests show that the modified mass fraction model reduces the number of time steps under different numerical schemes. Effects of this reduction depend on physical conditions of case. Table and Figures | Reference | Related Articles | Metrics

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Ground State of Bose-Einstein Condensates in a Spin-dependent Optical Lattice Liyuan WU, Suying ZHANG Chinese Journal of Computational Physics    2022, 39 (5): 617-623.   DOI: 10.19596/j.cnki.1001-246x.8478 Abstract （305）   HTML （7）    PDF （8174KB）（1216）       Knowledge map    Based on Gross-Pitaevskii equation, we studied numerically ground-state density distribution of Bose-Einstein condensates trapped in a combined potential of a spin-dependent optical lattice potential and an infinite deep potential. We discuss specifically the influence of propagation directions and the ratio of wave numbers (l) of the two lasers, which produce the spin-dependent optical lattice on the ground-state of the Bose-Einstein condensate. As the wave number is small, two beams of light spread forward to each other. The two components exhibit continuous stripes with l < 2. And with l≥2 both components show discontinuous stripes. As the two beams of light propagate vertically, with the increase of l, component 1 changes gradually from continuous to discontinuous stripes, and component 2 behaves oppositely. The number of ground state density fringes increases with the increase of wave number, while the number of vortices remains unchanged. Table and Figures | Reference | Related Articles | Metrics

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Spectrum and Dissociation Characteristics of CHBr3 Molecule Under External Electric Fields Wumaierjiang NAIPISAI, Haokui YAN, Abulimiti BUMALIYA, Danqi WANG, Mei XIANG, Huan AN Chinese Journal of Computational Physics    2022, 39 (5): 624-630.   DOI: 10.19596/j.cnki.1001-246x.8502 Abstract （264）   HTML （9）    PDF （1379KB）（1215）       Knowledge map    Ground-state configurations of bromomethane molecules under external electric fields were optimized on B3LYP/6-311G++(d, p) basis set using density functional theory. Molecular structure, total energy, dipole moment, bond length, charge distribution, orbital energy level, infrared spectroscopy, Raman spectroscopy and dissociation potential energy curve were analyzed computationally. It shows that with the increase of external electric field (0 a.u. -0.02 a.u.) along Y axis (parallel to the 1C-4Br line), the total molecular energy decreases, the 1C-4Br bond length increases, and the molecular dipole moment increases, the molecular energy gap decreases gradually, and the molecular infrared spectrum exhibits a blue shift. The dissociation potential energy curve shows that an external electric field with a strength of 0.02 a.u. makes the 1C-4Br bond broken and the molecule degraded. Table and Figures | Reference | Related Articles | Metrics

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Stability Analysis of Compressible Viscous Circular Jet Hua ZHANG, Minghui YANG Chinese Journal of Computational Physics    2022, 39 (5): 529-536.   DOI: 10.19596/j.cnki.1001-246x.8479 Abstract （272）   HTML （11）    PDF （1051KB）（1206）       Knowledge map    Mechanism of splitting and atomization of compressible viscous 。ular jet was studied with linear stability theory. The dispersion equation for disturbance development of liquid jet surface in space mode was obtained and verified. It shows that the influence of liquid compressibility on instability of liquid jet is very small. With the increase of Mach number of liquid, the maximum growth rate of disturbance wave is basically unchanged. Effect of gas compressibility on jet stability increases with the increase of gas Mach number. With the increase of Reynolds number and Weber number, the effect of viscous force and surface tension on jet stability decreases gradually. With the increase of gas-liquid density ratio, the effect of aerodynamic force on jet stability is basically unchanged. Table and Figures | Reference | Related Articles | Metrics

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Progress in Study of Equation of State of Warm Dense Matter with Path-integral Monte Carlo Method Zixiang YAN, Wei KANG, Weiyan ZHANG, Xiantu HE Chinese Journal of Computational Physics    2023, 40 (2): 258-274.   DOI: 10.19596/j.cnki.1001-246x.8599 Abstract （60）   HTML （12）    PDF （4085KB）（1193）       Knowledge map    In this paper, the basic framework of PIMC method is firstly described in detail. In particular, four techniques developed for PIMC simulations to deal with the Fermi sign problem are reviewed. EOS data of various WDM systems obtained with PIMC simulations are then summarized, with which the advantages and disadvantages of PIMC method are illustrated. Finally, some future prospects of PIMC method are discussed. 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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Simulation of Mechanical Behavior and Deformation Mechanism of Al Nanowires Along Different Crystal Orientations Zhaoyang HOU, Yuan NIU, Qixin XIAO, Zhen WANG, Qingtian DENG Chinese Journal of Computational Physics    2022, 39 (3): 341-351.   DOI: 10.19596/j.cnki.1001-246x.8433 Abstract （290）   HTML （14）    PDF （14775KB）（1183）       Knowledge map    Mechanical behavior and deformation mechanism of Al nanowire along different crystal orientations are investigated with molecular dynamics simulation. They are compared with those of FCC metal nanowires with lower fault energy such as Ni, Cu, Au and Ag under same computational conditions. It is found that the elastic module of Al nanowire along different crystal orientations displays a relationship of E[111] > E[110] > E[100], which is generally true in FCC nanowires. The yield stress of Al nanowire along different crystal orientations displays a relationship of σy[100] > σy[111] > σy[110], which is not generally true in FCC nanowires. Furthermore, deformation mechanism of Al nanowire along crystal orientations is clarified according to the evolution of microstructures. It is compared with that of nanowires of Ni, Cu, Au and Ag. It was found that it is difficult to predict deformation mechanism accurately with Schmid factor and stacking fault energy for Al nanowire with high fault energy in small scales. Table and Figures | Reference | Related Articles | Metrics