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We propose a matrix-free finite element (FE) homogenization scheme that is considerably more efficient than generic FE implementations. The efficiency of our scheme follows from a preconditioned well-scaled reformulation allowing for the…

Numerical Analysis · Mathematics 2022-03-08 Martin Ladecký , Richard J. Leute , Ali Falsafi , Ivana Pultarová , Lars Pastewka , Till Junge , Jan Zeman

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

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

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

We present an efficient quasi-Newton orbital solver optimized to reduce the number of gradient (Fock matrix) evaluations. The solver optimizes orthogonal orbitals by sequences of unitary rotations generated by the (preconditioned)…

Chemical Physics · Physics 2023-12-20 Samuel A. Slattery , Kshitijkumar Surjuse , Edward F. Valeev

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…

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

We propose a trust-region type method for a class of nonsmooth nonconvex optimization problems where the objective function is a summation of a (probably nonconvex) smooth function and a (probably nonsmooth) convex function. The model…

Optimization and Control · Mathematics 2021-10-26 Ziang Chen , Andre Milzarek , Zaiwen Wen

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

We propose a novel trust region method for solving a class of nonsmooth, nonconvex composite-type optimization problems. The approach embeds inexact semismooth Newton steps for finding zeros of a normal map-based stationarity measure for…

Optimization and Control · Mathematics 2023-10-04 Wenqing Ouyang , Andre Milzarek

We present a trust-region-based adaptive finite-element algorithm for numerically solving a class of nonsmooth PDE-constrained optimization problems that includes problems with sparsifying regularizers and convex constraints. In particular,…

Optimization and Control · Mathematics 2026-04-28 Harbir Antil , Robert J. Baraldi , Rohit Khandelwal , Drew P. Kouri

The phase-field fracture free-energy functional is non-convex with respect to the displacement and the phase field. This results in a poor performance of the conventional monolithic solvers like the Newton-Raphson method. In order to…

Numerical Analysis · Mathematics 2022-04-27 Ritukesh Bharali , Somdatta Goswami , Cosmin Anitescu , Timon Rabczuk

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

This paper considers an explicit continuation method and the trust-region updating strategy for the unconstrained optimization problem. Moreover, in order to improve its computational efficiency and robustness, the new method uses the…

Optimization and Control · Mathematics 2021-02-16 Xin-long Luo , Hang Xiao , Jia-hui Lv , Sen Zhang

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

The convolution potential arises in a wide variety of application areas, and its efficient and accurate evaluation encounters three challenges: singularity, nonlocality and anisotropy. We introduce a fast algorithm based on a far-field…

Numerical Analysis · Mathematics 2025-04-29 Xin Liu , Yong Zhang

We present an accelerated and hardware parallelized integral-equation solver for the problem of acoustic scattering by a two-dimensional surface in three-dimensional space. The approach is based, in part, on the novel Interpolated Factored…

Numerical Analysis · Mathematics 2022-11-01 Edwin Jimenez , Christoph Bauinger , Oscar P. Bruno

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 simulation of fracture using continuum ductile damage models attains a pathological discretization dependence caused by strain localization, after loss of ellipticity of the problem, in regions whose size is connected to the spatial…

Computational Engineering, Finance, and Science · Computer Science 2021-04-21 M. Magri , S. Lucarini , G. Lemoine , L. Adam , J. Segurado

We propose a mesh refinement technique for solving elliptic difference equations on unbounded domains based on the fast lattice Green's function (FLGF) method. The FLGF method exploits the regularity of the Cartesian mesh and uses the fast…

Computational Physics · Physics 2020-02-19 Benedikt Dorschner , Ke Yu , Gianmarco Mengaldo , Tim Colonius
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