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SSRN 2024年

作者： Tan, Liwei He, Zhijuan Wang, Xin 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 School of Mathematical Sciences Shanghai Jiao Tong University Shanghai200240 China

In this paper, we develop and investigate numerical methods for the self-consistent field theory (SCFT) of liquid crystalline polymers. Both the Flory-Huggins interaction potential and the Maier-Saupe orientational interaction are considered, enabling simultaneous exploration of microphase separation and liquid crystalline order in these systems. The main challenge in numerically solving this complex system lies in solving 6-dimensional (3D spatial + 2D orientation + 1D time) partial differential equations and performing nonlinear iterations to optimize the fields. We present ten numerical algorithms for solving high-dimensional PDEs and give an evaluation criterion of choosing the most appropriate PDE solver both from theoretical and numerical performance. Results demonstrate that coupling the fourth-order Runge-Kutta scheme with Fourier pseudo-spectral methods and spherical harmonic transformations is superior compared to other algorithms. We develop two nonlinear iteration schemes, alternating direction iteration method and Anderson mixing method, and design an adaptive technique to enhance the stability of the Anderson mixing method. Moreover, the cascadic multi-level (CML) technique further accelerates the SCFT computation when applied to these iteration methods. Meanwhile, an approach to optimize the computational domain is developed. To demonstrate the power of our approaches, we investigate the self-assembled behaviors of flexible-semiflexible diblock copolymers in 4, 5, 6-dimensional simulations. Numerical results illustrate the eﬀiciency of our proposed method. © 2024, The Authors. All rights reserved.

关键词： Mixing

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Quasiperiodic Symmetric Tilt FCC Grain Boundaries

arXiv

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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

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On the vanishing dissipation limit for the incompressible MHD equations on bounded domains

arXiv

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arXiv 2020年

作者： Duan, Qin Xiao, Yuelong Xin, Zhouping Hunan Key Laboratory for Computation and Simulation in Science and Engineering School of Mathematics and Computational Science Xiangtan University China College of Mathematics and Statistics Shenzhen University China Institute of Mathematical Sciences Chinese University of Hong Kong Hong Kong

In this paper, we investigate the solvability, regularity and the vanishing dissipation limit of solutions to the three-dimensional viscous magneto-hydrodynamic (MHD) equations in bounded domains. On the boundary, the velocity field fulfills a Navier-slip condition, while the magnetic field satisfies the insulating condition. It is shown that the initial-boundary problem has a global weak solution for a general smooth domain. More importantly, for a flat domain, we establish the uniform local well-posedness of the strong solution with higher order uniform regularity and the asymptotic convergence with a rate to the solution of the ideal MHD as the dissipation tends to zero. Copyright © 2020, The Authors. All rights reserved.

关键词： Initial value problems

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Sinc-Chebyshev collocation method for a class of fractional diffusion-wave equations

The Scientific World Journal

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The Scientific World Journal 2014年第1期2014卷 143983页

作者： Mao, Zhi Xiao, Aiguo Yu, Zuguo Shi, Long 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 Xiangtan Hunan 411105 China Mathematics and Information Engineering Department Tongren University Tongren Guizhou 554300 China

This paper is devoted to investigating the numerical solution for a class of fractional diffusion-wave equations with a variable coefficient where the fractional derivatives are described in the Caputo sense. The approach is based on the collocation technique where the shifted Chebyshev polynomials in time and the sinc functions in space are utilized, respectively. The problem is reduced to the solution of a system of linear algebraic equations. Through the numerical example, the procedure is tested and the efficiency of the proposed method is confirmed. © 2014 Zhi Mao et al.

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

SSRN

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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 computational fluid dynamics. © 2024, The Authors. All rights reserved.

关键词： Navier Stokes equations

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FAS-UNet: A Novel FAS-driven Unet to Learn Variational Image Segmentation

arXiv

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arXiv 2022年

作者： Zhu, Hui Shu, Shi Zhang, Jianping The School of Mathematics and Computational Science Xiangtan University Key Laboratory of Intelligent Computing & Information Processing Ministry of Education China The School of Mathematics and Computational Science Xiangtan University Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan411105 China The School of Mathematics and Computational Science Xiangtan University Hunan National Applied Mathematics Center China

Solving variational image segmentation problems with hidden physics is often expensive and requires different algorithms and manually tunes model parameter. The deep learning methods based on the U-Net structure have obtained outstanding performances in many different medical image segmentation tasks, but designing such networks requires a lot of parameters and training data, not always available for practical problems. In this paper, inspired by traditional multi-phase convexity Mumford-Shah variational model and full approximation scheme (FAS) solving the nonlinear systems, we propose a novel variational-model-informed network (denoted as FAS-Unet) that exploits the model and algorithm priors to extract the multi-scale features. The proposed model-informed network integrates image data and mathematical models, and implements them through learning a few convolution kernels. Based on the variational theory and FAS algorithm, we first design a feature extraction sub-network (FAS-Solution module) to solve the model-driven nonlinear systems, where a skip-connection is employed to fuse the multi-scale features. Secondly, we further design a convolution block to fuse the extracted features from the previous stage, resulting in the final segmentation possibility. Experimental results on three different medical image segmentation tasks show that the proposed FAS-Unet is very competitive with other state-of-the-art methods in qualitative, quantitative and model complexity evaluations. Moreover, it may also be possible to train specialized network architectures that automatically satisfy some of the mathematical and physical laws in other image problems for better accuracy, faster training and improved generalization. The code is available at https://***/zhuhui100/FASUNet. Copyright © 2022, The Authors. All rights reserved.

关键词： Image segmentation

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

arXiv

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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

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

SSRN

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SSRN 2024年

作者： Yu, Yuan Qin, Zuojian Gu, Qingqing Chen, Siwei Shu, Shi Yuan, Hai-Zhuan School of Mathematics and Computational Science Xiangtan University Xiangtan411105 China National Center for Applied Mathematics in Hunan Xiangtan411105 China Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan University Xiangtan411105 China School of Energy and Power Engineering University of Shanghai for Science and Technology Shanghai200093 China

In this paper, we develop a two-relaxation-time regularized lattice Boltzmann (TRT-RLB) model for simulating weakly compressible isothermal flows, which demonstrates superior stability and accuracy over existing models such as the regularized lattice Boltzmann (RLB) and two-relaxation-time (TRT) models. In this model, a free relaxation parameter, τs,2, is employed to relax the regularized non-equilibrium third-order terms. Chapman-Enskog analysis reveals that our model can accurately recover the Navier-Stokes equations. Theoretical analysis and numerical experiments both confirm the model’s ability to eliminate non-physical numerical slip associated with the half-way bounce-back scheme. Our simulations of the double shear layer problem and Taylor-Green vortex flow exhibit pronounced advantages in terms of stability and accuracy, even under super-high Reynolds numbers as high as Re = 107. Additionally, the simulation of creeping flow around a square cylinder showcases the model’s precision in computing ultra-low Reynolds numbers down to Re = 10−7. This robust capability confirms the proposed model as a highly effective and adaptable tool in computational fluid dynamics. © 2024, The Authors. All rights reserved.

关键词： Navier Stokes equations

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A posteriori error estimation for an interior penalty virtual element method of Kirchhoff plates

arXiv

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arXiv 2024年

作者： Feng, Fang Hu, Yuming Yu, Yue Zhao, Jikun School of Mathematics and Statistics Nanjing University of Science and Technology Nanjing 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 School of Mathematics and Statistics Zhengzhou University Zhengzhou450001 China

In this paper, we develop a residual-type a posteriori error estimation for an interior penalty virtual element method (IPVEM) for the Kirchhoff plate bending problem. Building on the work in [18], we adopt a modified discrete variational formulation that incorporates the H1-elliptic projector in the jump and average terms. This allows us to simplify the numerical implementation by including the H1-elliptic projector in the computable error estimators. We derive the reliability and efficiency of the a posteriori error bound by constructing an enriching operator and establishing some related error estimates that align with C0-continuous interior penalty finite element methods. As observed in the a priori analysis, the interior penalty virtual elements exhibit similar behaviors to C0continuous elements despite its discontinuity. This observation extends to the a posteriori estimate since we do not need to account for the jumps of the function itself in the discrete scheme and the error estimators. As an outcome of the error estimator, an adaptive VEM is introduced by means of the mesh refinement strategy with the one-hanging-node rule. Numerical results from several benchmark tests confirm the robustness of the proposed error estimators and show the efficiency of the resulting adaptive VEM. Copyright © 2024, The Authors. All rights reserved.

关键词： Discrete element methods

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Phase Behaviour of X-Shaped Liquid Crystalline Molecules

arXiv

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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

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