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We propose a new discrete FFT-based method for computational homogenization of micromechanics on a regular grid that is simple, fast and robust. The discretization scheme is based on a tetrahedral stencil that displays three crucial…

数值分析 · 数学 2024-05-21 Alphonse Finel

Fourier solvers have become efficient tools to establish structure-property relations in heterogeneous materials. Introduced as an alternative to the Finite Element (FE) method, they are based on fixed-point solutions of the…

Although FFT-based methods are renowned for their numerical efficiency and stability, traditional discretizations fail to capture material interfaces that are not aligned with the grid, resulting in suboptimal accuracy. To address this…

计算工程、金融与科学 · 计算机科学 2026-05-21 Flavia Gehrig , Matti Schneider

Fast Fourier transform (FFT) based methods have turned out to be an effective computational approach for numerical homogenisation. In particular, Fourier-Galerkin methods are computational methods for partial differential equations that are…

数值分析 · 数学 2020-04-22 Jaroslav Vondřejc , Dishi Liu , Martin Ladecký , Hermann G. Matthies

Fourier-accelerated micromechanical homogenization has been developed and applied to a variety of problems, despite being prone to ringing artifacts. In addition, the majority of Fourier-accelerated solvers applied to FFT-accelerated…

数值分析 · 数学 2022-07-22 Ali Falsafi , Richard J. Leute , Martin Ladecký , Till Junge

An FFT framework which preserves a good numerical performance in the case of domains with large regions of empty space is proposed and analyzed for its application to lattice based materials. Two spectral solvers specially suited to resolve…

材料科学 · 物理学 2021-11-10 S. Lucarini , L. Cobian , A. Voitus , J. Segurado

The Fourier-Galerkin method (in short FFTH) has gained popularity in numerical homogenisation because it can treat problems with a huge number of degrees of freedom. Because the method incorporates the fast Fourier transform (FFT) in the…

数值分析 · 数学 2020-02-14 Jaroslav Vondřejc , Tom W. J. de Geus

Most of the FFT methods available for homogenization of the mechanical response use the strain/deformation gradient as unknown, imposing their compatibility using Green's functions or projection operators. This implies the allocation of…

计算工程、金融与科学 · 计算机科学 2019-08-27 Sergio Lucarini , Javier Segurado

Finite-element (FE) discretisations have emerged as a powerful real-space alternative to large-scale Kohn-Sham density functional theory (DFT) calculations, offering systematic convergence, excellent parallel scalability, while…

计算物理 · 物理学 2025-12-11 Gourab Panigrahi , Phani Motamarri

Fast Fourier Transform (FFT)-based solvers for the Poisson equation are highly efficient, exhibiting $O(N\log N)$ computational complexity and excellent parallelism. However, their application is typically restricted to simple, regular…

数值分析 · 数学 2025-09-30 Zichao Jiang , Jiacheng Lian , Zhuolin Wang

Micromechanical homogenization is often carried out with Fourier-accelerated methods that are prone to ringing artifacts. We here generalize the compatibility projection introduced by Vond\v{r}ejc, Zeman & Marek [Comput. Math. Appl. 68, 156…

Computational micromechanics and homogenization require the solution of the mechanical equilibrium of a periodic cell that comprises a (generally complex) microstructure. Techniques that apply the Fast Fourier Transform have attracted much…

数值分析 · 数学 2017-02-21 T. W. J. de Geus , J. Vondrejc , J. Zeman , R. H. J. Peerlings , M. G. D. Geers

The computational efficiency and rapid convergence of fast Fourier transform (FFT)-based solvers render them a powerful numerical tool for periodic cell problems in multiscale modeling. On regular grids, they tend to outperform traditional…

The eXtended Finite Element Method (XFEM) is an approach for solving problems with non-smooth solutions. In the XFEM, the approximate solution is locally enriched to capture discontinuities without requiring a mesh which conforms to the…

数值分析 · 数学 2013-12-23 Christapher Lang , David Makhija , Alireza Doostan , Kurt Maute

We modify the Green operator involved in Fourier-based computational schemes in elasticity, in 2D and 3D. The new operator is derived by expressing continuum mechanics in terms of centered differences on a rotated grid. Use of the modified…

数值分析 · 数学 2015-02-20 François Willot

Homogenization is a fundamental technique for estimating the macroscopic properties of materials with microscale heterogeneity. Among Homogenization methods, the FFT-based Homogenization algorithm has become widely used due to its…

材料科学 · 物理学 2025-04-15 Sascha H. Hauck , Matthias Kabel , Mazen Ali , Nicolas R. Gauger

The Finite Element Method (FEM) is the gold standard for spatial discretization in numerical simulations for a wide spectrum of real-world engineering problems. Prototypical areas of interest include linear heat transfer and linear…

数值分析 · 数学 2022-01-10 Marcelo Forets , Daniel Freire Caporale , Jorge M. Pérez Zerpa

We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…

材料科学 · 物理学 2025-06-11 Nikhil Kodali , Phani Motamarri

The domain integral equation method with its FFT-based matrix-vector products is a viable alternative to local methods in free-space scattering problems. However, it often suffers from the extremely slow convergence of iterative methods,…

数值分析 · 数学 2015-03-19 Grigorios P. Zouros , Neil V. Budko

Numerical homogenization and multiscale finite element methods construct effective properties on a coarse grid by solving local problems and extracting the average effective properties from these local solutions. In some cases, the…

数值分析 · 数学 2016-06-21 Eric T. Chung , Yalchin Efendiev , Wing Tat Leung , Maria Vasilyeva
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