On advanced techniques for generation and discretization of the microstructure of complex heterogeneous materials

The critical ingredients of this second type of investigation are (I) the generation of sets of representative volume elements ( RVE ) describing the geometry of microstructures with a satisfying control on the morphology relevant to the material of interest and (II) the discretization of governing equations of a model representing the investigated physics on those RVEs domains. One possible reason for the under-representation of morphologically detailed RVEs in the related literature may be related to several issues associated with the geometrical complexity of the microstructures of considered materials in both of these steps. Based on this hypothesis, this work is aimed at bringing contributions to advanced techniques for the generation and discretization of microstructures of complex heterogeneous materials, focusing on geometrical issues. In particular, a special emphasis is put on the consistent geometrical representation of RVEs across generation and discretization methodologies and the accommodation of a quantitative control on specific morphological features characterizing the microstructures of the covered materials.

While several promising recent techniques are dedicated to the discretization of arbitrary complex geometries in numerical models, the literature on RVEs generation methodologies does not provide fully satisfying solutions for most of the cases. The general strategy in this work consisted in selecting a promising state-of-the-art discretization method and in designing improved RVE generation techniques with the concern of guaranteeing their seamless collaboration. The chosen discretization technique is a specific variation of the generalized / extended finite element method that accommodates the representation of arbitrary input geometries represented by level set functions. The RVE generation techniques were designed accordingly, using level set functions to define and manipulate the RVEs geometries.

The RVE methodologies developed are mostly morphologically motivated, incorporating governing parameters allowing the reproduction and the quantitative control of specific morphological features of the considered materials. These developments make an intensive use of distance fields and level set functions to handle the geometrical complexity of microstructures. Valuable improvements were brought to the RVE generation methodologies for several materials, namely granular and particle-based materials, coated and cemented geomaterials, polycrystalline materials, cellular materials and textile-based materials. RVEs produced using those developments have allowed extensive testing of the investigated discretization method, using complex microstructures in proof-of-concept studies involving the main ingredients of RVE-based morphological parameter studies of complex heterogeneous materials. In particular, the illustrated approach offers the possibility to address three crucial aspects of those kinds of studies: (I) to easily conduct simulations on a large number of RVEs covering a significant range of morphological variations for a material, (II) to use advanced constituent material behaviors and (III) to discretize large 3D RVEs. Based on those illustrations and the experience gained from their realization, the main strengths and limitations of the considered discretization methods were clearly identified.