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arXiv 2024年

作者： Wang, Xin Shi, An-Chang Zhang, Pingwen 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 HamiltonONL8S4M1 Canada School of Mathematics and Statistics Wuhan University Wuhan430072 China

Quasicrystals are intriguing ordered structures characterized by the lack of translational symmetry and the existence of rotational symmetry. The tiling of different geometric units such as triangles and squares in two-dimensional space can result in a great variety of quasicrystals that could be realized by the self-assembly of liquid crystalline molecules. In this study, we introduce three self-similar dodecagonal tilings, including a novel Diamond-Square-Triangle pattern, composed of triangular and quadrangular tiles and examine their thermodynamic stability by using the self-consistent field theory applied to T-shaped liquid crystalline molecules. Specifically, we detail the inflation rules for the construction of these dodecagonal tilings and analyze their self-similarity, and show that these tilings can be viewed as projections of higher-dimensional periodic lattice points with projection windows. Using these dodecagonal tilings as initial configurations of the SCFT results in solutions corresponding to quasicrystals that could form from the T-shaped liquid crystalline molecules. The relative stability of these aperiodic phases is analyzed to obtain design rules that could stabilize quasicrystals. Meanwhile, we provide two criteria for distinguishing three dodecagonal quasicrystals and their approximants by analyzing their diffraction peaks. These findings shed new lighten on the discovery of new quasicrystals in soft materials. Copyright © 2024, The Authors. All rights reserved.

关键词： Quasicrystals

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A computationally-efficient sandbox algorithm for multifractal analysis of large-scale complex networks with tens of millions of nodes

arXiv

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arXiv 2020年

作者： Ding, Yuemin Liu, Jin-Long Li, Xiaohui Tian, Yu-Chu Yu, Zu-Guo School of Computer Science and Engineering Tianjin University of Technology Tianjin300384 China School of Computer Science Queensland University of Technology BrisbaneQLD4000 Australia Key Laboratory of Intelligent Computing and Information Processing Ministry of Education Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan University Xiangtan Hunan411105 China School of Information Science and Engineering Wuhan University of Science and Technology Wuhan Hubei430081 China

The fractality of complex networks has attracted much attention with extensive investigations over the last 1. years. As a generalization of fractal analysis, multifractal analysis (MFA) is a useful tool to systematically describe the spatial heterogeneity of both theoretical and experimental fractal patterns. One of the widely used methods for fractal analysis is box-covering. It uses the minimum number of covering boxes to calculate the fractal dimension of complex networks, and is known to be NP-hard. More severely, in comparison with fractal analysis algorithms, MFA algorithms have much higher computational complexity. Among various MFA algorithms for complex networks, the sandbox MFA algorithm behaves with the best computational efficiency. However, the existing sandbox algorithm is still computationally expensive. Thus, so far it has only been applied to small-scale complex networks of the size of about tens of thousands of nodes. It becomes challenging to implement the MFA for large-scale networks with tens of millions of nodes. It is also not clear whether or not MFA results can be improved by a largely increased size of a theoretical network. To tackle these challenges, a computationally-efficient sandbox algorithm (CESA) is presented in this paper for MFA of large-scale networks. Distinct from the existing sandbox algorithm that uses the shortest-path distance matrix to obtain the required information for MFA of complex networks, our CESA employs the breadth-first search (BFS) technique to directly search the neighbor nodes of each layer of center nodes, and then to retrieve the required information. Our CESA's input is a sparse data structure derived from the compressed sparse row (CSR) format designed for compressed storage of the adjacency matrix of large-scale network. A theoretical analysis reveals that the CESA reduces the time complexity of the existing sandbox algorithm from cubic to quadratic, and also improves the space complexity from quadratic

关键词： computational efficiency

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A decoupling two-grid method for the time-dependent poisson-nernst-planck equations

arXiv

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arXiv 2018年

作者： Shen, Ruigang Shu, Shi Yang, Ying Lu, Benzhuo School of Mathematics and Computational Science Xiangtan University Xiangtan Hunan411105 China Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan University Xiangtan Hunan411105 China School of Mathematics and Computational Science Guangxi Colleges Universities Key Laboratory of Data Analysis and Computation Guangxi Key Laboratory of Cryptography and information Security Guilin University of Electronic Technology Guilin Guangxi541004 China Institute of Computational Mathematics and Scientific/Engineering Computing National Center for Mathematics and Interdisciplinary Sciences Academy of Mathematics and Systems Science Chinese Academy of Sciences Beijing100190 China

We study a two-grid strategy for decoupling the time-dependent Poisson-Nernst-Planck equations describing the mass concentration of ions and the electrostatic potential. The computational system is decoupled to smaller systems by using coarse space solutions at each time level, which can speed up the solution process compared with the finite element method combined with the Gummel iteration. We derive the optimal error estimates in L2 norm for both semi- and fully discrete finite element approximations. Based on the a priori error estimates, the error estimates in H1.norm are presented for the two-grid algorithm. The theoretical results indicate this decoupling method can retain the same accuracy as the finite element method. Numerical experiments including the Poisson-Nernst-Planck equations for an ion channel show the efficiency and effectiveness of the decoupling two-grid method. Copyright © 201., The Authors. All rights reserved.

关键词： Finite element method

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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 = 1.7. Additionally, the simulation of creeping flow around a square cylinder showcases the model’s precision in computing ultra-low Reynolds numbers down to Re = 1.−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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Enhancement of photoluminescence efficiency in GeSe ultrathin slab by thermal treatment and annealing: experiment and first-principles molecular dynamics simulations

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Scientific reports 2018年第1期8卷 17671页

作者： Yuliang Mao Xin Mao Hongquan Zhao Nandi Zhang Xuan Shi Jianmei Yuan Hunan Key Laboratory for Micro-Nano Energy Materials and Devices School of Physics and Optoelectronic Xiangtan University Hunan 411105 China. ylmao@***. Hunan Key Laboratory for Micro-Nano Energy Materials and Devices School of Physics and Optoelectronic Xiangtan University Hunan 411105 China. Chongqing institute of Green and Intelligent Technology Chinese Academy of Sciences Chongqing 401120 China. hqzhao@***. Chongqing institute of Green and Intelligent Technology Chinese Academy of Sciences Chongqing 401120 China. Hunan Key Laboratory for Computation and Simulation in Science and Engineering School of Mathematics and Computational Science Xiangtan University Hunan 411105 China.

The effect of thermal treatment and annealing under different temperatures from 1.0 &#1.6;C to 250 &#1.6;C on the photoluminescence spectroscopy of the GeSe ultrathin slab is reported. After the thermal treatment and ... 详细信息

The effect of thermal treatment and annealing under different temperatures from 1.0 °C to 250 °C on the photoluminescence spectroscopy of the GeSe ultrathin slab is reported. After the thermal treatment and annealing under 200 °C, we found that the photoluminescence intensity of A exciton and B exciton in GeSe ultrathin slab is increased to twice as much as that in untreated case, while is increased by ~84% in the photoluminescence intensity of C exciton. Combined by our experimental work and theoretical simulations, our study confirms the significant role of thermal treatments and annealing in reducing surface roughness and removing the Se vacancy to form more compact and smoother regions in GeSe ultrathin slab. Our findings imply that the improved quality of GeSe surface after thermal treatments is an important factor for the photoluminescence enhancement.

关键词： Thermal Treatment First-principles Molecular Dynamics simulations Smoother Regions Reduced Surface Roughness GeSi Samples

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Paired 2-Disjoint Path Covers of Burnt Pancake Graphs with Faulty Elements

SSRN

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SSRN 2024年

作者： Li, Pingshan Chen, Congzhen Liu, Xianglin Xiangtan University China School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China Key Laboratory of Intelligent Computing & Information Processing of Education China Key Laboratory for Computation and Simulation in Science and Engineering China National Center for Applied Mathematics in Hunan China Guangxi Vocational University of Agriculture Guangxi Nanning530007 China

It is a key issue in parallel processing to find $k$-disjoint paths in the underlying graph of an interconnected network such that these disjoint paths pass through all vertices of the network, this is known as paired $k$-disjoint path cover problems or unpaired $k$-disjoint path cover problems. In 2024, Dvo\v{r}\'{a}k and Gu (Theoretical Computer {1., $986 (2024) 1.4327$) showed that there exist two disjoint paths whose vertices partition the vertex of the burnt pancake graph even if it contains at most $n-4$ faulty elements (vertices or edges) and they proposed an open problem: is it possible to improve the upper bound $n-4$ to $n-3$? In this paper, we provide a positive answer to this problem. © 2024, The Authors. All rights reserved.

关键词： Hamiltonians

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PRISTA-Net: Deep Iterative Shrinkage Thresholding Network for Coded Diffraction Patterns Phase Retrieval

arXiv

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arXiv 2023年

作者： Liu, Aoxu Fan, Xiaohong Yang, Yin Zhang, Jianping 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 the Key Laboratory of Intelligent Computing & Information Processing the Ministry of Education Xiangtan411105 China The School of Mathematics and Computational Science Xiangtan University the National Center for Applied Mathematics in Hunan Xiangtan411105 China

The problem of phase retrieval (PR) involves recovering an unknown image from limited amplitude measurement data and is a challenge nonlinear inverse problem in computational imaging and image processing. However, many of the PR methods are based on black-box network models that lack interpretability and plug-and-play (PnP) frameworks that are computationally complex and require careful parameter tuning. To address this, we have developed PRISTA-Net, a deep unfolding network (DUN) based on the first-order iterative shrinkage thresholding algorithm (ISTA). This network utilizes a learnable nonlinear transformation to address the proximal-point mapping sub-problem associated with the sparse priors, and an attention mechanism to focus on phase information containing image edges, textures, and structures. Additionally, the fast Fourier transform (FFT) is used to learn global features to enhance local information, and the designed logarithmic-based loss function leads to significant improvements when the noise level is low. All parameters in the proposed PRISTA-Net framework, including the nonlinear transformation, threshold parameters, and step size, are learned end-to-end instead of being manually set. This method combines the interpretability of traditional methods with the fast inference ability of deep learning and is able to handle noise at each iteration during the unfolding stage, thus improving recovery quality. Experiments on Coded Diffraction Patterns (CDPs) measurements demonstrate that our approach outperforms the existing state-of-the-art methods in terms of qualitative and quantitative evaluations. Our source codes are available at https://***/liuaxou/PRISTA-Net. Copyright © 2023, The Authors. All rights reserved.

关键词： Mapping

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Uniform convergence of multigrid finite element method for time-dependent riesz tempered fractional problem

arXiv

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arXiv 2017年

作者： Chen, Minghua Bu, Weiping Qi, Wenya Wang, Yantao School of Mathematics and Statistics Gansu Key Laboratory of Applied Mathematics and Complex Systems Lanzhou University Lanzhou730000 China School of Mathematics and Computational Science Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan University Xiangtan411105 China South University of Science and Technology of China Shenzhen518055 China

In this article a theoretical framework for the Galerkin finite element approximation to the time-dependent Riesz tempered fractional problem is provided without the fractional regularity assumption. Because the time-dependent problems should become easier to solve as the time step τ → 0, which correspond to the mass matrix dominant [R. E. Bank and T. Dupont, Math. Comp., 1.3 (1.81., pp. 35-51.. Based on the introduced and analysis of the fractional τ-norm, the uniform convergence estimates of the V-cycle multigrid method with the time-dependent fractional problem is strictly proved, which means that the convergence rate of the V-cycle MGM is independent of the mesh size h and the time step τ. The numerical experiments are performed to verify the convergence with only O(NlogN) complexity by the fast Fourier transform method, where N is the number of the grid points. To the best of our knowledge, this is the first proof for the convergence rate of the V-cycle multigrid finite element method with τ → 0. Copyright © 201., The Authors. All rights reserved.

关键词： Fast Fourier transforms

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Adaptive-multilevel BDDC algorithm for three-dimensional plane wave Helmholtz systems

arXiv

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arXiv 2019年

作者： Peng, Jie Shu, Shi Wang, Junxian Zhong, Liuqiang School of Mathematical Sciences South China Normal University Guangzhou510631 China School of Mathematics and Computational Science Xiangtan University Xiangtan411105 China Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan University Xiangtan411105 China

In this paper we are concerned with the weighted plane wave least-squares (PWLS) method for three-dimensional Helmholtz equations, and develop the multi-level adaptive BDDC algorithms for solving the resulting discrete system. In order to form the adaptive coarse components, the local generalized eigenvalue problems for each common face and each common edge are carefully designed. The condition number of the two-level adaptive BDDC preconditioned system is proved to be bounded above by a user-defined tolerance and a constant that is only dependent on the maximum number of faces and edges per subdomain and the number of subdomains sharing a common edge. The effectiveness of these algorithms is illustrated on benchmark problem. The numerical results show the robustness of our two-level adaptive BDDC algorithms with respect to the wave number, the number of subdomains and the mesh size, and appear that our multi-level adaptive BDDC algorithm can reduce the number of dofs at the coarse problem and can be used to solving large wave number problems efficiently. Copyright © 201., The Authors. All rights reserved.

关键词： Elastic waves

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Design and Adaptive Finite Element simulation of Conformal Transformation Optics Devices with Isotropic Materials

SSRN

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SSRN 2022年

作者： Yang, Wei He, Bin Wang, Hao Department of Mathematics Lanzhou Jiaotong University Gansu Lanzhou730070 China School of Mathematics and Statistics Anhui Normal University Anhui Wuhu241000 China Hunan Key Laboratory for Computation and Simulation in Science and Engineering School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

Traditional transform optical devices are designed from anisotropic magnetic materials which are difficult to fabricate. In this paper, we design and simulate a conformal carpet invisible cloak and bending waveguide device with isotropic material. According to the existing conformal coordinate transformation, we deduce the perfect parameters required by the conformal device. And the finite element method and error analysis of the model equation and the basic process of adaptive algorithm are given. We first simulated a carpet cloak and bending waveguide device with perfect parameters;then we used the idea of parameter segmentation to design a carpet cloak that requires 35 isotropic materials and use the idea of layering to design the conformal bending waveguide device, and relevant numerical results are presented;finally, we designed the adaptive finite element algorithm to realize the numerical simulation of Maxwell's equations in isotropic material isotropic material. © 2022, The Authors. All rights reserved.

关键词： Error analysis

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