FFT based approaches in micromechanics: fundamentals, methods and applications

FFT methods have become a fundamental tool in computational micromechanics since they were first proposed in 1994 by H. Moulinec and P. Suquet for the homogenization of composites. From that moment on many dierent approaches have been proposed for a more accurate and efficient resolution of the non- linear homogenization problem. Furthermore, the method has been pushed beyond its original purpose and has been adapted to many other problems including continuum and discrete dislocation dynamics, multi-scale modeling or homogenization of coupled problems as fracture or multiphysical problems. In this paper, a comprehensive review of FFT approaches for micromechanical simulations will be made, covering the basic mathematical aspects and a complete description of a selection of approaches which includes the original basic scheme, polarization based methods, Krylov approaches, Fourier-Galerkin and displacement-based methods. The paper will present then the most relevant applications of the method in homogenization of composites, polycrystals or porous materials including the simulation of damage and fracture. It will also include an insight into synergies with experiments or its extension towards dislocation dynamics, multi-physics and multi-scale problems. Finally, the paper will analyze the current limitations of the method and try to analyze the future of the application of FFT approaches in micromechanics.

Inverse homogenization using the topological derivative

PurposeThe purpose of this study is to solve the inverse homogenization problem, or so-called material design problem, using the topological derivative concept.Design/methodology/approachThe optimal topology is obtained through a relaxed formulation of the problem by replacing the characteristic function with a continuous design variable, so-called density variable. The constitutive tensor is then parametrized with the density variable through an analytical interpolation scheme that is based on the topological derivative concept. The intermediate values that may appear in the optimal topologies are removed by penalizing the perimeter functional.FindingsThe optimization process benefits from the intermediate values that provide the proposed method reaching to solutions that the topological derivative had not been able to find before. In addition, the presented theory opens the path to propose a new framework of research where the topological derivative uses classical optimization algorithms.Originality/valueThe proposed methodology allows us to use the topological derivative concept for solving the inverse homogenization problem and to fulfil the optimality conditions of the problem with the use of classical optimization algorithms. The authors solved several material design examples through a projected gradient algorithm to show the advantages of the proposed method.

Locally-synchronous, iterative solver for Fourier-based homogenization

We use the algebraic orthogonality of rotation-free and divergence-free fields in the Fourier space to derive the solution of a class of linear homogenization problems as the solution of a large linear system. The effective constitutive tensor constitutes only a small part of the solution vector. Therefore, we propose to use a synchronous and local iterative method that is capable to efficiently compute only a single component of the solution vector. If the convergence of the iterative solver is ensured, i.e., the system matrix is positive definite and diagonally dominant, it outperforms standard direct and iterative solvers that compute the complete solution. It has been found that for larger phase contrasts in the homogenization problem, the convergence is lost, and one needs to resort to other linear system solvers. Therefore, we discuss the linear system’s properties and the advantages as well as drawbacks of the presented homogenization approach.

Computing Effective Permeability of Porous Media with FEM and Micro-CT: An Educational Approach

Permeability is a parameter that measures the resistance that fluid faces when flowing through a porous medium. Usually, this parameter is determined in routine laboratory tests by applying Darcy’s law. Those tests can be complex and time-demanding, and they do not offer a deep understanding of the material internal microstructure. Currently, with the development of new computational technologies, it is possible to simulate fluid flow experiments in computational labs. Determining permeability with this strategy implies solving a homogenization problem, where the determination of the macro parameter relies on the simulation of a fluid flowing through channels created by connected pores present in the material’s internal microstructure. This is a powerful example of the application of fluid mechanics to solve important industrial problems (e.g., material characterization), in which the students can learn basic concepts of fluid flow while practicing the implementation of computer simulations. In addition, it gives the students a concrete opportunity to work with a problem that associates two different scales. In this work, we present an educational code to compute absolute permeability of heterogeneous materials. The program simulates a Stokes flow in the porous media modeled with periodic boundary conditions using finite elements. Lastly, the permeability of a real sample of sandstone, modeled by microcomputed tomography (micro-CT), is obtained.

Macroscopic response of regular masonry from homogenization: comparison of isotropic and orthotropic damage models

This paper outlines prediction of macroscopic effective properties of a regular masonry from homogenization. It focuses on the derivation of nonlinear macroscopic stress strain curves adopting either classical isotropic or more advanced orthotropic damage model. The response resulting from both tensile and compressive uniaxial loading is examined in the light of strain and stress loading regimes. A masonry structure typical of ”Placa” buildings (mixed masonry- reinforced concrete buildings) built in Portugal is selected as one particular example to illustrate the differences in the predictive capabilities of the two constitute models on the one hand and the formulation of the homogenization problem on the other hand. It is suggested that the mixed loading conditions are essentially required when estimating all macroscopic material parameters needed in the corresponding macroscopic constitutive model

Analysis of porosity influence on the effective moduli of ceramic matrix PZT composite using the simplified finite element model

The problem of determining the effective moduli of a ceramic matrix piezocomposite with respect to multiscale porosity was considered. To solve the homogenization problem, the method of effective moduli in the standard formulation, the finite element method and the ANSYS computational package were used. Various models of two-phase and three-phase composites consisting of a piezoceramic matrix, elastic inclusions of corundum and pores of various sizes have been investigated. Finite element models of representative volumes of 3–0 and 3–0–0 connectivities were developed. The results of computational experiments showed that effective moduli depend quite significantly not only on the volume fractions of inclusions and pores, but also on the structure and size of pores in comparison with the characteristic sizes of inclusions.

Estimates for the elastic moduli of 2D hexagonal-shape orthorhombic crystals with in-plane random crystalline orientations

Numerical finite element simulations on the homogenization problem for large random-aggregate samples of a particular 2D hexagonal-shape-geometry random polycrystals from the base crystals of orthorhombic symmetry have been performed. At sufficiently large random-aggregate samples, the scatter intervals converge toward the Voigt-Reuss-Hill bounds, and then our recently constructed bounds, which have been specified for the aggregates.

Asymptotic Behaviour of the Energy Integral of a Two-Parameter Homogenization Problem with Nonlinear Periodic Robin Boundary Conditions

We consider a nonlinear Robin problem for the Poisson equation in an unbounded periodically perforated domain. The domain has a periodic structure, and the size of each cell is determined by a positive parameter δ. The relative size of each periodic perforation is determined by a positive parameter ε. Under suitable assumptions, such a problem admits a family of solutions which depends on ε and δ. We analyse the behaviour the energy integral of such a family as (ε, δ) tends to (0, 0) by an approach that represents an alternative to asymptotic expansions and classical homogenization theory.