Abstract

Microstructural characteristics play a significant role in the determination of effective properties of materials. Consequently, most numerical tools aimed at predicting such properties require, as a starting point, the availability of geometric representations of such microstructures. In this paper, we introduce a method for generating statistically representative synthetic microstructures for materials involving multiple phases. Our method is based on traditional seed placement and tessellation approaches, with three critical improvements: (i) allowing for controlled seed overlap to better represent microstructural statistics, (ii) multi-sphere representation of 3D ellipsoids to account for arbitrarily elongated grains, and (iii) novel application of the axis aligned bounding box tree structure for accelerated seed placement. Our method recreates a diverse set of microstructural features, including the presence of spherical and non-spherical grain geometries, amorphous phases, and voids. After the method is presented, we proceed with a rigorous numerical analysis demonstrating its ability to reproduce key statistical features of target microstructures. The algorithms presented are freely available and open source through the package MicroStructPy.

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