A POD/PGD reduction approach for an efficient reparameterization of data-driven material microstructure models (original) (raw)

Toward parameterization of material microstructure based on a bi-level reduced model

The general idea here is to produce a high quality representation of the material phase indicator function of material microstructure for high resolution Digital Material Representation (DMR). The storage requirement is properly scaled down through bi-level reduction, by which the microstructure is represented in a reduced order in terms of the extracted spatial and parametric common bases. Based on the reduced data set, a parameterization model is proposed and the analysis of the intrinsic dimensionality yields the minimal set of parameters needed for the description of the microstructure with adequate precision. Moving Least Squares (MLS) is used for interpolation in this reduced space. We showcase the approach by constructing a low-dimensional model of a two-phase composite microstructure.

Numerical material representation using proper orthogonal decomposition and diffuse approximation

Applied Mathematics and Computation, 2013

From numerical point of view, analysis and optimization in computational material engineering require efficient approaches for microstructure representation. This paper develops an approach to establish an image-based interpolation model in order to efficiently parameterize microstructures of a representative volume element (RVE), based on proper orthogonal decomposition (POD) reduction of density maps (snapshots). When the parameters of the RVE snapshot are known a priori, the geometry and topology of individual phases of a parameterized snapshot is given by a series of response surfaces of the projection coefficients in terms of these parameters. Otherwise, a set of pseudo parameters corresponding to the detected dimensionality of the data set are taken from learning the manifolds of the projection coefficients. We showcase the approach and its potential applications by considering a set of two-phase composite snapshots. The choice of the number of retained modes is made after considering both the image reconstruction errors as well as the convergence of the effective material constitutive behavior obtained by numerical homogenization.

Readily regenerable reduced microstructure representations

Computational Materials Science, 2008

Many of the physical properties of materials are critically dependent on their microstructure. In recent years, there has been increasing interest in using computer simulations based on phase-field models for the spatial and temporal evolution of microstructures. Although such simulations are computationally expensive, the generated set of microstructures can be stored in a repository and used for further analysis in materials design. However, such an approach requires a substantial amount of storage, for example, approximately 1 Terabyte for a single binary alloy. In this paper, we develop fast data compression and regeneration schemes for two-dimensional microstructures that can reduce storage requirements without compromising the accuracy of computed values, such as stress fields used in analysis. Our main contribution is the development and evaluation of a sparse skeletal representation scheme which outperforms traditional compression schemes. Our results indicate that our scheme can reduce microstructure data size by more than two orders of magnitude while achieving better accuracies for the computed stress fields and order parameters.

Efficient methods for implicit geometrical representation of complex material microstructures

International Journal for Numerical Methods in Engineering, 2014

We present two methods for initializing distance functions on adaptively-refined finite element meshes to represent complex material microstructures from segmented x-ray tomographic data. Implicit microstructure representation combined with the extended FEM allows modelers to represent complex material microstructures with consistent mesh quality and accuracy. In the first method, a level set evolution equation is formulated and solved by the Galerkin method on an adaptively-refined mesh. We show that the convergence and stability of this method is optimal for the order of elements used. In the second approach, we initialize the distance field by the fast marching method on a uniform grid, and then project the solution onto the finite element mesh by least-squares. We show that this latter approach is superior in speed and accuracy. As an example problem, both methods are demonstrated in the initialization of distance fields for two inclusion phases within a Al-7075 alloy.

Towards Image-Based Homogenization by Combining Scanning Techniques and Reduced Order Modeling

2014

In the numerical modeling of composite materials and structures, microscopic heterogeneities introduce the need for defining homogenized properties depending on microscopic details. Real time image-based calculations in the framework of the on-line control of manufacturing processes demands the prediction of the local homogenized properties of a heterogeneous material at different scanning scales, as fast as possible for a given acceptable error. Therefore, model reduction techniques open new routes for performing such kinds of efficient high-resolution homogenization. In this work we propose different reduced order models of thermal conductivities of heterogeneous microstructures, with low and high contrast between both materials, and then we extend the methodology for addressing the homogenization of mechanical properties or the one related to the flow in porous media.

Three dimensional modeling of complex heterogeneous materials via statistical microstructural descriptors

Integrating Materials and Manufacturing Innovation, 2014

Heterogeneous materials have been widely used in many engineering applications. Achieving optimal material performance requires a quantitative knowledge of the complex material microstructure and structural evolution under external stimuli. Here, we present a framework to model material microstructure via statistical morphological descriptors, i.e., certain lower-order correlation functions associated with the material's phases. This allows one to reduce the large data sets for a complete specification of all of the local states in a microstructure to a handful of simple scalar functions that statistically capture the salient structural features of the material. Stochastic reconstruction techniques can then be employed to investigate the information content of the correlation functions, suggest superior and sensitive structural descriptors as well as generate realistic virtual 3D microstructures from the given limited structural information. The framework is employed to successfully model a variety of materials systems including an anisotropic aluminium alloy, a polycrystalline tin solder, the structural evolution in a binary lead-tin alloy when aged, and a model structure of hard-sphere packing. Our framework also has ramifications in the development of integrated computational material design schemes and 4D materials modeling techniques.

A framework for automated 3D microstructure analysis & representation

Journal of Computer-Aided Materials Design, 2007

Over the past 5 years there have been significant advances in developing serial-sectioning methods that provide quantitative data describing the structure and crystallography of grain-level microstructures in three dimensions (3D). The subsequent analysis and representation of this information can provide modeling and simulation efforts with a highly-refined and unbiased characterization of specific microstructural features. For example, the grain structure and crystallography of an engineering alloy could be characterized and then translated directly into a 3D volume mesh for subsequent Finite Element Analysis. However, this approach requires a multitude of data sets in order to appropriately sample the intrinsic heterogeneity observed in typical microstructures. One way to circumvent this issue is to develop computation tools that create synthetic microstructures that are statisticallyequivalent to the measured structure. This study will discuss the development of software programs that take as input a series of Electron Backscatter Diffraction Patterns from a serial sectioning experiment, and output a robust statistical analysis of the 3D data, as well as generate a host of synthetic structures which are analogous to the real microstructure. Importantly, the objective of this study is to provide a framework towards complete microstructure representation that is consistent with quantifiable experimental data.

Proper Generalized Decomposition (PGD) representation of highly heterogeneous material property in a Representative Volumetric Element

2017

The first part of this research describes an attempt to develop a formulation to obtain 3D approximate solutions for the heat conduction problem in highly heterogeneous materials, by a sequence of one-dimensional FEM problems generated by the Proper Generalized Decomposition (PGD) technique. Here only the steady state problem is considered. Along the PGD iterations, the separation of variables is done between the all three space coordinates, instead of the time as it is usual in PGD applications. In this way, it is sought to obtain, iteratively, an accurate a-posteriori approximation of the complex oscillation of the temperature, with a reduced number of modes. The method involves an iterative sequence of global solutions, even in a linear problem. However, previous experiences in the literature shows that the number of iterations and modes is small, and the total computational cost involved is generally smaller than the cost of the single 3D analysis by 3D solid finite elements mod...

Descriptor-based methodology for statistical characterization and 3D reconstruction of microstructural materials

Computational Materials Science, 2014

3D reconstructions of heterogeneous microstructures are important for assessing material properties using advanced simulation techniques such as finite element analysis (FEA). Nevertheless, for many materials systems like polymer nanocomposites, only 2D microstructural images are available even with the state-of-the-art imaging techniques. This paper proposes a new descriptor-based methodology for reconstructing 3D particle-based heterogeneous microstructures based on 2D images. The proposed methodology characterizes a 2D microstructural morphology using a small set of microstructure descriptors covering features including material composition, dispersion status, and phase geometry, and then reconstructs statistically equivalent microstructures in a 3D space based on the 3D descriptors derived from 2D characterization and a few reasonable assumptions. Our approach is the most useful when the direct 3D microstructure analysis, such as 3D tomography, is not available due to either high cost or difficulties in sample preparations. Other practical features of descriptor-based characterization include low dimensionality, which enables optimal parametric design of microstructures, as well as physically meaningful mapping of processing related material parameters. In reconstruction, the proposed algorithm is capable to generate large size 3D structures at a low computational cost. Furthermore, since the algorithm is stochastic, it can be used to construct both Representative Volume Element (RVE) and Statistical Volume Element (SVE) for FEA studies. We demonstrate the proposed methodology by characterizing and reconstructing polymer nanocomposites.

A computational approach to handle complex microstructure geometries

In multiscale analysis of components, there is usually a need to solve microstructures with complex geometries. In this paper, we use the extended finite element method (X-FEM) to solve scales involving complex geometries. The X-FEM allows one to use meshes not necessarily matching the physical surface of the problem while retaining the accuracy of the classical finite element approach. For material interfaces, this is achieved by introducing a new enrichment strategy. Although the mesh does not need to conform to the physical surfaces, it needs to be fine enough to capture the geometry of these surfaces. A simple algorithm is described to adaptively refine the mesh to meet this geometrical requirement. Numerical experiments on the periodic homogenization of two-phase complex cells demonstrate the accuracy and simplicity of the X-FEM. homogenized behavior. Furthermore, it turns out that the effective properties are obtained from the solution of a boundary value problem to be solved on a period of the structure, which will be called the basic cell problem in the sequel.