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A Two-level Overlapping Schwarz Method Using Energy Minimizing Multiscale Finite Element Functions 25th

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A Two-level Overlapping Schwarz Method Using Energy Minimizi...

25th International Conference on Domain Decomposition Methods in science and {1., DD 201.

作者： Kim, Hyea Hyun Chung, Eric T. Wang, Junxian Department of Applied Mathematics and Institute of Natural Sciences Kyung Hee University Region Korea Republic of Department of Mathematics The Chinese University of Hong Kong SAR Hong Kong Hunan Key Laboratory for Computation and Simulation in Science and Engineering School of Mathematics and Computational Science Xiangtan University Xiangtan China

In this paper, a two-level overlapping Schwarz algorithm is proposed for solving finite element discretization of the following model problem &#1.9; 2020, Springer Nature Switzerland AG.

ISBN: (纸本)9783030567491

关键词： Finite element method

High-density/efficient surface active sites on modified separators to boost Li-S batteries via atomic Co^(3+)-Se termination

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Nano Research 2022年第8期15卷 7199-7208页

作者： Shujie Liu Xiaofei Liu Manfang Chen Dong Wang Xin Ge Wei Zhang Xiyang Wang Chunhui Wang Tingting Qin Haozhe Qin Liang Qiao Dan Zhang Xing Ou Weitao Zheng Key Laboratory of Automobile Materials of MOE School of Materials Science and Engineeringand Electron Microscopy Centerand International Center of Future ScienceJilin UniversityChangchun 130013China Key Laboratory of Materials Design and Quantum Simulation College of ScienceChangchun UniversityChangchun 130022China National Base for International Science&Technology Cooperation School of ChemistryXiangtan UniversityXiangtan 411105China State Key Laboratory of Chem/Bio-Sensing and Chemometrics Advanced Catalytic Engineering Research Center of the Ministry of EducationCollege of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082China Department of Mechanical and Mechatronics Engineering University of WaterlooWaterlooN2L 3G1Canada School of Metallurgy and Environment Central South UniversityChangsha 410083China

Various and critical electrocatalytic processes are involved during the redox reactions in the Li-S batteries,which extremely depend on the surface structure and chemical ***,single-atom concept unlocks a route to maximize the use of surface-active atoms,however,further increasing the density of active site is still strictly limited by the inherent structure that single-atoms are only highly-dispersed on ***,we provide a viewpoint that an elaborate facet design with singlecrystalline structure engineering can harvest high-density surface active sites,which can significantly boost the electrocatalyst performance for excellent Li-S ***,the single-crystal CoSe_(2)(scCS)exhibits three-types of terminated(01.)facet,efficiently obtaining the surface with a high-rich Co^(3+)–Se bond termination,in contrast with lots of surface grain boundaries and dangling bonds in polycrystalline CoSe_(2).Surprisingly,the surface active sites concentration can reach more than 69%.As anticipated,it can provide high-density and high-efficient active sites,enormously suppressing the shuttle effect and improving the reaction kinetics via accelerating the conversion and deposition of polysulfides and *** surface lattice strategy with element terminated mode is a promising approach for designing electrocatalyst effect-based energy system,not merely for Li-S batteries.

关键词： high-density surface active sites Co^(3+)-Se covalent bond atomic element terminated Li-S batteries single-crystalline strategy

Generalized Multiscale Finite Element Method for Multicontinuum Coupled Flow and Transport Model

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Lobachevskii Journal of Mathematics 2024年第11期45卷 5343-5356页

作者： Ammosov, D.A. Huang, J. Leung, W.T. Shan, B. Computational Technologies and Artificial Intelligence North-Eastern Federal University Yakutsk 677980 Russian Federation School of Mathematics and Computational Science Xiangtan University National Center for Applied Mathematics in Hunan and Hunan Key Laboratory for Computation and Simulation in Science and Engineering Hunan Xiangtan 411105 China Department of Mathematics City University of Hong Kong Hong Kong Department of Mathematics Texas A & M University College Station 77843 TX United States

Abstract: In this paper, we consider a coupled flow and transport process described by partial differential equations for pressure and concentration. We derive the multicontinuum coupled flow and transport model using the multicontinuum homogenization method. We formulate cell problems with constraints that take into account various homogenized effects. For the resulting multicontinuum model, we develop a multiscale solver based on the Generalized Multiscale Finite Element Method. The combined approach of multicontinuum and multiscale modeling makes it possible to consider complex heterogeneous media with high contrast. We present numerical results for a model problem with two continua and heterogeneous coefficients separable into microscopic and macroscopic parts. The results show the high efficiency of the proposed multiscale approach. © Pleiades Publishing, Ltd. 2024.

关键词： coupled flow and transport generalized multiscale finite element method homogenization miscible displacement multicontinuum

A NEURAL MULTIGRID SOLVER FOR HELMHOLTZ EQUATIONS WITH HIGH WAVENUMBER AND HETEROGENEOUS MEDIA

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arXiv 2024年

作者： Cui, Chen Jiang, Kai Shu, Shi Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

Solving high-wavenumber and heterogeneous Helmholtz equations presents a longstanding challenge in scientific computing. In this paper, we introduce a deep learning-enhanced multigrid solver to address this issue. By conducting error analysis on standard multigrid applied to a discrete Helmholtz equation, we devise a strategy to handle errors with different frequencies separately. For error components with frequencies distant from the wavenumber, we perform simple smoothing based on local operations at different levels to eliminate them. On the other hand, to address error components with frequencies near the wavenumber, we utilize another multigrid V-cycle to solve an advection-diffusion-reaction (ADR) equation at a coarse scale. The resulting solver, named Wave-ADR-NS, involves parameters learned through unsupervised training. Numerical results demonstrate that Wave-ADR-NS effectively resolves heterogeneous 2D Helmholtz equation with wavenumber up to 2000. Comparative experiments against classical multigrid preconditioners and existing deep learning-based multigrid preconditioners reveals the superior performance of *** Codes 65N22, 65N55, 68T07 Copyright © 2024, The Authors. All rights reserved.

关键词： Helmholtz equation

Convergent analysis of algebraic multigrid method with data-driven parameter learning for non-selfadjoint elliptic problems

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arXiv 2024年

作者： Zhang, Juan Luo, Junyue Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education Hunan Key Laboratory for Computation and Simulation in Science and Engineering School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

In this paper, we apply the practical GADI-HS iteration as a smoother in algebraic multigrid (AMG) method for solving second-order non-selfadjoint elliptic problem. Additionally, we prove the convergence of the derived algorithm and introduce a data-driven parameter learing method called Gaussian process regression (GPR) to predict optimal parameters. Numerical experimental results show that using GPR to predict parameters can save a significant amount of time cost and approach the optimal parameters accurately. © 2024, CC BY.

关键词： Algebra

Momentum-Accelerated Richardson(m) and Their Multilevel Neural Solvers

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arXiv 2024年

作者： Wang, Zhen Liu, Yun Cui, Chen Shu, Shi Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

Recently, designing neural solvers for large-scale linear systems of equations has emerged as a promising approach in scientific and engineering computing. This paper first introduce the Richardson(m) neural solver by employing a meta network to predict the weights of the long-step Richardson iterative method. Next, by incorporating momentum and preconditioning techniques, we further enhance convergence. Numerical experiments on anisotropic second-order elliptic equations demonstrate that these new solvers achieve faster convergence and lower {1.al complexity compared to both the Chebyshev iterative method with optimal weights and the Chebyshev semi-iteration method. To address the strong dependence of the aforementioned single-level neural solvers on PDE parameters and grid size, we integrate them with two multilevel neural solvers developed in recent years. Using alternating optimization techniques, we construct Richardson(m)FNS for anisotropic equations and NAG-Richardson(m)-WANS for the Helmholtz equation. Numerical experiments show that these two multilevel neural solvers effectively overcome the drawback of single-level methods, providing better robustness and {1.al efficiency. Copyright © 2024, The Authors. All rights reserved.

关键词： Iterative methods

AN EFFICIENT NULLSPACE-PRESERVING SADDLE SEARCH METHOD FOR PHASE TRANSITIONS INVOLVING TRANSLATIONAL INVARIANCE

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arXiv 2023年

作者： Cui, Gang Jiang, Kai Zhou, Tiejun Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

In this work, we propose an efficient nullspace-preserving saddle search (NPSS) method for a class of phase transitions involving translational invariance, where the critical states are often degenerate. The NPSS method includes two stages, escaping from the basin and searching for the index-1.generalized saddle point. The NPSS method climbs upward from the generalized local minimum in segments to overcome the challenges of degeneracy. In each segment, an effective ascent direction is ensured by keeping this direction orthogonal to the nullspace of the initial state in this segment. This method can escape the basin quickly and converge to the transition states. We apply the NPSS method to the phase transitions between crystals, and between crystal and quasicrystal, based on the Landau-Brazovskii and Lifshitz-Petrich free energy functionals. Numerical results show a good performance of the NPSS *** Codes 37M05, 49K35, 37N30 © 2023, CC BY-NC-ND.

关键词： Free energy

An Efficient Saddle Search Method for Ordered Phase Transitions Involving Translational Invariance

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SSRN

SSRN 2024年

作者： Cui, Gang Jiang, Kai Zhou, Tiejun Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing Ministry of Education School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

In this work, we propose an efficient nullspace-preserving saddle search (NPSS) method for a class of phase transitions involving translational invariance, where the critical states are often degenerate. The NPSS method includes two stages, escaping from the basin and searching for the index-1.generalized saddle point. The NPSS method climbs upward from the generalized local minimum in segments to overcome the challenges of degeneracy. In each segment, an effective ascent direction is ensured by keeping this direction orthogonal to the nullspace of the initial state in this segment. This method can escape the basin quickly and converge to the transition states efficiently. We apply the NPSS method to the phase transitions between crystals, and between crystal and quasicrystal, based on the Landau-Brazovskii and Lifshitz-Petrich free energy functionals. Numerical results show a good performance of the NPSS method. © 2024, The Authors. All rights reserved.

关键词： Free energy

Conservative nonconforming virtual element method for stationary incompressible magnetohydrodynamics

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arXiv 2024年

作者： Dong, Xiaojing Huang, Yunqing Wang, Tianwen Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing & Information Processing of Ministry of Education School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

In this paper, we propose a conservative nonconforming virtual element method for the full stationary incompressible magnetohydrodynamics model. We leverage the virtual element satisfactory divergence-free property to ensure mass conservation for the velocity field. The condition of the well-posedness of the proposed method, as well as the stability are derived. We establish optimal error estimates in the discrete energy norm for both the velocity and magnetic field. Furthermore, by employing a new technique, we obtain the optimal error estimates in L2-norm without any additional conditions. Finally, numerical experiments are presented to validate the theoretical analysis. In the implementation process, we adopt the effective Oseen iteration to handle the nonlinear system. © 2024, CC BY-NC-ND.

关键词： Magnetohydrodynamics