Statistical Reconstruction of Microstructures Using Entropic Descriptors

TL;DR

This paper introduces a multiscale stochastic reconstruction method for multiphase materials using entropic descriptors and simulated annealing, improving efficiency and accuracy in microstructure modeling.

Contribution

It presents a novel approach combining entropic descriptors with optimization techniques for efficient microstructure reconstruction, including low-cost approximate methods.

Findings

EDs provide complementary information to correlation functions.

Reconstruction efficiency improves with initial synthetic configurations.

Microstructures can be generated using sphere-based models linked to EDs.

Abstract

We report a multiscale approach of broad applicability to stochastic reconstruction of multiphase materials, including porous ones. The approach devised uses an optimization method, such as the simulated annealing (SA) and the so-called entropic descriptors (EDs). For a binary pattern, they quantify spatial inhomogeneity or statistical complexity at discrete length-scales. The EDs extract dissimilar structural information to that given by two-point correlation functions (CFs). Within the SA, we use an appropriate cost function consisting of EDs or comprised of EDs and CFs. It was found that the stochastic reconstruction is computationally efficient when we begin with a preliminary synthetic configuration having in part desirable features. Another option is low-cost approximate reconstructing of the entire multiphase medium beyond the SA technique. The information included in the target ED-curve was utilized for this purpose. For a given volume fraction the low-cost trial microstructures can be generated in two ways. In the first one, applied to ceramics and carbonate samples, the interpenetrating spheres generate a number of trial configurations. In the second one, with phase-EDs, here used to the sandstone sample, the overlapping superspheres do it. Both methods use a radius determined from the EDs-linked two-exponent power-law. However, the supersphere deformation parameter allows controlling of the spatial inhomogeneity of prototypical microstructures. At last, even for a hypothetical ED-curve (under reasonable assumptions), the specific microstructure can be found, if it is realizable for a given volume fraction. In general, the EDs-based methods offer a compromise between computational efficiency and the accuracy of reconstructions.