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ADAPTIVE FINITE ELEMENT METHOD FOR PHASE FIELD FRACTURE MODELS BASED ON RECOVERY ERROR ESTIMATES

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arXiv 2024年

作者： Tian, Tian Chunyu, Chen Liang, He Huayi, Wei School of Mathematics and Computational Science Xiangtan University Xiangtan 411105 China School of Mathematics and Computational Science Xiangtan University National Center of Applied Mathematics in Hunan China Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan411105 China

The phase field model is a widely used mathematical approach for describing crack propagation in continuum damage fractures. In the context of phase field fracture simulations, adaptive finite element methods (AFEM) are often employed to address the mesh size dependency of the model. However, existing AFEM approaches for this application frequently rely on heuristic adjustments and empirical parameters for mesh refinement. In this paper, we introduce an adaptive finite element method based on a recovery type posteriori error estimates approach grounded in theoretical analysis. This method transforms the gradient of the numerical solution into a smoother function space, using the difference between the recovered gradient and the original numerical gradient as an error indicator for adaptive mesh refinement. This enables the automatic capture of crack propagation directions without the need for empirical parameters. We have implemented this adaptive method for the Hybrid formulation of the phase field model using the open-source software package FEALPy. The accuracy and efficiency of the proposed approach are demonstrated through simulations of classical 2D and 3D brittle fracture examples, validating the robustness and effectiveness of our *** Codes 65N50, 74R10 Copyright © 2024, The Authors. All rights reserved.

关键词： Brittle fracture

NEURAL NETWORK-ENHANCED hr-ADAPTIVE FINITE ELEMENT ALGORITHM FOR PARABOLIC EQUATIONS

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arXiv 2025年

作者： Hao, Jiaxiong Huang, Yunqing Yi, Nianyu Yin, Peimeng Hunan Key Laboratory for Computation and Simulation in Science and Engineering School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China National Center for Applied Mathematics in Hunan Key Laboratory of Intelligent Computing & Information Processing of Ministry of Education Xiangtan University Hunan Xiangtan411105 China Department of Mathematical Sciences University of Texas at El Paso El PasoTX79968 United States

In this paper, we present a novel enhancement to the conventional hr-adaptive finite element methods for parabolic equations, integrating traditional h-adaptive and r-adaptive methods via neural networks. A major challenge in hr-adaptive finite element methods lies in projecting the previous step’s finite element solution onto the updated mesh. This projection depends on the new mesh and must be recomputed for each adaptive iteration. To address this, we introduce a neural network to construct a mesh-free surrogate of the previous step finite element solution. Since the neural network is mesh-free, it only requires training once per time step, with its parameters initialized using the optimizer from the previous time step. This approach effectively overcomes the interpolation challenges associated with non-nested meshes in computation, making node insertion and movement more convenient and efficient. The new algorithm also emphasizes SIZING and GENERATE, allowing each refinement to roughly double the number of mesh nodes of the previous iteration and then redistribute them to form a new mesh that effectively captures the singularities. It significantly reduces the time required for repeated refinement and achieves the desired accuracy in no more than seven space-adaptive iterations per time step. Numerical experiments confirm the efficiency of the proposed algorithm in capturing dynamic changes of *** Codes 92B20, 65M60, 35K57 © 2025, CC BY.

关键词： Interpolation

A C0-continuous nonconforming virtual element method for linear strain gradient elasticity

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arXiv 2024年

作者： Huang, Jianguo Yu, Yue School of Mathematical Sciences MOE-LSC Shanghai Jiao Tong University Shanghai200240 China Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education National Center for Applied Mathematics in Hunan School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

A robust C0-continuous nonconforming virtual element method (VEM) is developed for a boundary value problem arising from strain gradient elasticity in two dimensions, with the family of polygonal meshes satisfying a very general geometric assumption given in Brezzi et al. (2009) and Chen and Huang (2018). The stability condition of the VEMs is derived by establishing Korn-type inequalities and inverse inequalities. Some crucial commutative relations for locking-free analysis as in elastic problems are derived. The sharp and uniform error estimates with respect to both the microscopic parameter and the Lamé coefficient are achieved in the lowest-order case, which is also verified by numerical *** Codes 65N12, 65N15, 65N22, 65N30 © 2024, CC BY-NC-ND.

关键词： Boundary value problems

Quasiperiodic Symmetric Tilt FCC Grain Boundaries

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arXiv 2024年

作者： Zou, Wenwen Zhang, Juan Xu, Jie Jiang, Kai 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 LSEC NCMIS Institute of Computational Mathematics and Scientific/Engineering Computing Academy of Mathematics and Systems Science Chinese Academy of Sciences Beijing China

In this work, we investigate [110] symmetric tilt FCC grain boundaries (GBs) by a recently developed approach for quasiperiodic interfaces using the Landau-Brazovskii model. On special tilt angles associated with quadratic algebraic numbers, quasiperiodic GBs exhibit generalized Fibonacci substitution rules. The transition mechanism from quasiperiodic GBs to periodic GBs is explored through sphere offsets and spectral coalescence. We also propose an accurate method to calculate the GB energy for arbitrary tilt angle and analyze the factors affecting the GB energy. The revealing GB energy change is continue along with tilt angle except periodic GBs. © 2024, CC BY-NC-SA.

关键词： Grain boundaries

Error Analysis of Virtual Element Method for the Poisson-Boltzmann Equation

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arXiv 2023年

作者： Huang, Linghan Shu, Shi Yang, Ying Guangxi Guilin541004 China School of Mathematics and Computational Science Xiangtan University Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing Ministry of Education Hunan Xiangtan411105 China Guangxi541004 China

The Poisson-Boltzmann equation is a nonlinear elliptic equation with Dirac distribution sources, which has been widely applied to the prediction of electrostatics potential of biological biomolecular systems in solution. In this paper, we discuss and analysis the virtual element method for the Poisson-Boltzmann equation on general polyhedral meshes. Under the low regularity of the solution of the whole domain, nearly optimal error estimates in both L2-norm and H1-norm for the virtual element approximation are obtained. The numerical experiment on different polyhedral meshes shows the efficiency of the virtual element method and verifies the proposed theoretical prediction. Copyright © 2023, The Authors. All rights reserved.

关键词： Poisson equation

Efficient numerical methods for computing stationary states of spherical Landau-Brazovskii model

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arXiv 2025年

作者： Qiu, Qun Si, Wei Ji, Guanghua Jiang, Kai School of Mathematical Sciences Beijing Normal University Beijing100875 China School of Mathematics Sciences Peking University Beijing100871 China School of Mathematics and Computational Science Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education Xiangtan University Hunan Xiangtan411105 China

In this paper, we develop a set of efficient methods to compute stationary states of the spherical Landau-Brazovskii (LB) model in a discretization-then-optimization way. First, we discretize the spherical LB energy functional into a finite-dimensional energy function by the spherical harmonic expansion. Then five optimization methods are developed to compute stationary states of the discretized energy function, including the accelerated adaptive Bregman proximal gradient, Nesterov, adaptive Nesterov, adaptive nonlinear conjugate gradient and adaptive gradient descent methods. To speed up the convergence, we propose a principal mode analysis (PMA) method to estimate good initial configurations and sphere radius. The PMA method also reveals the relationship between the optimal sphere radius and the dominant degree of spherical harmonics. Numerical experiments show that our approaches significantly reduce the number of iterations and the computational time. Copyright © 2025, The Authors. All rights reserved.

关键词： Conjugate gradient method

Phase Behaviour of X-Shaped Liquid Crystalline Molecules

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arXiv 2024年

作者： Wei, Dan He, Zhijuan Huang, Yunqing Shi, An-Chang Jiang, Kai 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 Department of Physics and Astronomy McMaster University HamiltonONL8S 4M1 Canada

X-shaped liquid crystalline molecules (XLCMs) are obtained by tethering two flexible end A-blocks and two flexible side B-blocks to a rigid backbone (R). A rich array of ordered structures can be formed from XLCMs, driven by the competition between the interactions between the chemically distinct blocks and the molecular connectivity. Here, we report a theoretical study on the phase behaviour of XLCMs with symmetric and asymmetric side blocks by using the self-consistent field theory (SCFT). A large number of ordered structures, including stable smectic-A, triangle-square, pentagon and giant polygon, are obtained as solutions of the SCFT equations. Phase diagrams of XLCMs as a function of the total length and asymmetric ratio of the side chains are constructed. For XLCMs with symmetric side blocks, the theoretically predicted phase transition sequence is in good agreement with experiments. For XLCMs with a fixed total side chain length, transitions between layered structure to polygonal phases, as well as between different polygonal phases, could be induced by varying the asymmetry of the side chains. The free energy density, domain size, side-chain stretching, and molecular orientation are analyzed to elucidate mechanisms stabilizing the different ordered phases. © 2024, CC BY.

关键词： Free energy

Irrational-window-filter projection method and application to quasiperiodic Schrödinger eigenproblems

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arXiv 2024年

作者： Jiang, Kai Li, Xueyang Ma, Yao Zhang, Juan Zhang, Pingwen Zhou, Qi 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 School of Mathematics and Statistics Wuhan University Wuhan430072 China School of Mathematical Sciences Peking University Beijing100871 China

In this paper, we propose a new algorithm, the irrational-window-filter projection method (IWFPM), for quasiperiodic systems with concentrated spectral point distribution. Based on the projection method (PM), IWFPM filters out dominant spectral points by defining an irrational window and uses a corresponding index-shift transform to make the FFT available. The error analysis on the function approximation level is also given. We apply IWFPM to 1D, 2D, and 3D quasiperiodic Schrödinger eigenproblems (QSEs) to demonstrate its accuracy and efficiency. IWFPM exhibits a significant computational advantage over PM for both extended and localized quantum states. More importantly, by using IWFPM, the existence of Anderson localization in 2D and 3D QSEs is numerically *** Codes 35P05, 35J10, 65D15, 65T50, 81-08 © 2024, CC BY-NC-SA.

关键词： Wiener filtering

PROJECTION METHOD FOR QUASIPERIODIC ELLIPTIC EQUATIONS AND APPLICATION TO QUASIPERIODIC HOMOGENIZATION

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arXiv 2024年

作者： Jiang, Kai Li, Meng Zhang, Juan Zhang, Lei 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 School of Mathematical Sciences Institute of Natural Sciences MOE-LSC Shanghai Jiao Tong University Shanghai200240 China

In this study, we address the challenge of solving elliptic equations with quasiperiodic coefficients. To achieve accurate and efficient computation, we introduce the projection method, which enables the embedding of quasiperiodic systems into higher-dimensional periodic systems. To enhance the computational efficiency, we propose a compressed storage strategy for the stiffness matrix by its multi-level block circulant structure, significantly reducing memory requirements. Furthermore, we design a diagonal preconditioner to efficiently solve the resulting high-dimensional linear system by reducing the condition number of the stiffness matrix. These techniques collectively contribute to the computational effectiveness of our proposed approach. Convergence analysis shows the polynomial accuracy of the proposed method. We demonstrate the effectiveness and accuracy of our approach through a series of numerical examples. Moreover, we apply our method to achieve a highly accurate computation of the homogenized coefficients for a quasiperiodic multiscale elliptic *** Codes 65D05, 65D15, 65F08, 35B15, 35B27 Copyright © 2024, The Authors. All rights reserved.

关键词： Convergence of numerical methods