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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. © 2.2., CC BY-NC-SA.

关键词： Grain boundaries

OPTIMAL L∞(L2. AND L1(L2. A POSTERIORI ERROR ESTIMATES FOR THE FULLY DISCRETE APPROXIMATIONS OF TIME FRACTIONAL PARABOLIC DIFFERENTIAL EQUATIONS

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arXiv 2023年

作者： Cao, Jiliang Wang, Wansheng Xiao, Aiguo Department of Mathematics Shanghai Normal University Shanghai200234 China 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

We derive optimal order a posteriori error estimates in the L∞(L2. and L1(L2.-norms for the fully discrete approximations of time fractional parabolic differential equations. For the discretization in time, we use the L1 methods, while for the spatial discretization, we use standard conforming finite element methods. The linear and quadratic space-time reconstructions are introduced, which are generalizations of the elliptic space reconstruction. Then the related a posteriori error estimates for the linear and quadratic space-time reconstructions play key roles in deriving global and pointwise final error estimates. Numerical experiments verify and complement our theoretical results. Copyright © 2.2., The Authors. All rights reserved.

关键词： Finite element method

HIGH ACCURACY TECHNIQUES BASED ADAPTIVE FINITE ELEMENT METHODS FOR ELLIPTIC PDES

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arXiv 2025年

作者： Xiao, Jingjing Liu, Ying Yi, Nianyu School of Mathematics Shandong University Jinan250100 China School of Science Xi’an University of Technology Xi’an710048 China School of Mathematics and Computational Science Xiangtan University Hunan National Center for Applied Mathematics Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan411105 China

This paper aims to develop an efficient adaptive finite element method for the second-order elliptic problem. Although the theory for adaptive finite element methods based on residual-type a posteriori error estimator and bisection refinement has been well established, in practical computations, the use of non-asymptotic exact of error estimator and the excessive number of adaptive iteration steps often lead to inefficiency of the adaptive algorithm. We propose an efficient adaptive finite element method based on high-accuracy techniques including the superconvergence recovery technique and high-quality mesh optimization. The centroidal Voronoi Delaunay triangulation mesh optimization is embedded in the mesh adaption to provide high-quality mesh, and then assure that the superconvergence property of the recovered gradient and the asymptotical exactness of the error estimator. A tailored adaptive strategy, which could generate high-quality meshes with a target number of vertices, is developed to ensure the adaptive computation process terminated within 7 steps. The effectiveness and robustness of the adaptive algorithm is numerically demonstrated. Copyright © 2.2., The Authors. All rights reserved.

关键词： Triangulation

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. (2.09) and Chen and Huang (2.18). 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, 65N2., 65N30 © 2.2., CC BY-NC-ND.

关键词： Boundary value problems

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 92.2., 65M60, 35K57 © 2.2., CC BY.

关键词： Interpolation

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 © 2.2., The Authors. All rights reserved.

关键词： Poisson equation

The interior penalty virtual element method for fourth-order singular perturbation problems

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arXiv 2023年

作者： Feng, Fang Yu, Yue School of Mathematics and Statistics Nanjing University of Science and Technology Nanjing 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 Ministry of Education Xiangtan University Hunan Xiangtan411105 China

This paper is dedicated to the numerical solution of a fourth-order singular perturbation problem using the interior penalty virtual element method (IPVEM) proposed in [42.. The study introduces modifications to the jumps and averages in the penalty term, as well as presents an automated mesh-dependent selection of the penalty parameter. Drawing inspiration from the modified Morley finite element methods, we leverage the conforming interpolation technique to handle the lower part of the bilinear form. Through our analysis, we establish optimal convergence in the energy norm and provide a rigorous proof of uniform convergence concerning the perturbation parameter in the lowest-order case. © 2.2., CC BY-NC-ND.

关键词： Numerical methods

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 © 2.2., The Authors. All rights reserved.

关键词： Conjugate gradient method

Two-Relaxation-Time Regularized Lattice Boltzmann Model for Navier-Stokes Equations

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SSRN

SSRN 2024年

作者： Yu, Yuan Qin, Zuojian Chen, Siwei Shu, Shi Yuan, Hai-Zhuan aSchool of Mathematics and Computational Science Xiangtan University Xiangtan 411105 China bNational Center for Applied Mathematics in Hunan Xiangtan 411105 China cHunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan University Xiangtan 411105 China

In this paper, we propose a novel two-relaxation-time regularized lattice Boltzmann (TRTRLB) model for simulating weakly compressible isothermal flows. A free relaxation parameter, τs,2. is employed to relax the regularized non-equilibrium third-order terms. ChapmanEnskog analysis reveals that our model can accurately recover the Navier-Stokes equations (NSEs). Theoretical analysis of the Poiseuille flow problem demonstrates that the slip velocity magnitude in the proposed model is controlled by a magic parameter, which can be entirely eliminated under specific values, consistent with the classical TRT model. Our simulations of the double shear layer problem, Taylor-Green vortex flow, and force-driven Poiseuille flow confirm that the stability and accuracy of our model significantly surpass those of both the regularized lattice Boltzmann (RLB) and two-relaxation-time (TRT) models, even under super-high Reynolds numbers as Re = 107. Concurrently, the TRT-RLB model exhibits superior performance in very high viscosity scenarios. The simulations of creeping flow around a square cylinder demonstrates the model’s capability to accurately compute ultra-low Reynolds numbers as Re = 10−7. This study establishes the TRT-RLB model as a flexible and robust tool in {2.al fluid dynamics. © 2.2., The Authors. All rights reserved.

关键词： Navier Stokes equations