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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…

Numerical Analysis · Mathematics 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…

Computational Physics · Physics 2017-09-01 Jan Zeman , Tom W. J. de Geus , Jaroslav Vondřejc , Ron H. J. Peerlings , Marc G. D. Geers

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…

Computational Engineering, Finance, and Science · Computer Science 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…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 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…

Materials Science · Physics 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…

Numerical Analysis · Mathematics 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…

Computational Engineering, Finance, and Science · Computer Science 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…

Computational Physics · Physics 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…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 2026-02-18 Martin Ladecký , Ivana Pultarová , François Bignonnet , Indre Jödicke , Jan Zeman , Lars Pastewka

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…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 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…

Materials Science · Physics 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…

Numerical Analysis · Mathematics 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…

Materials Science · Physics 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,…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 2016-06-21 Eric T. Chung , Yalchin Efendiev , Wing Tat Leung , Maria Vasilyeva
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