A Metric on the Polycrystalline Microstructure State Space

TL;DR

This paper introduces a novel metric for quantifying the similarity between polycrystalline microstructures, enabling better validation of synthetic microstructures against experimental data by capturing detailed geometrical features.

Contribution

It proposes an idealized distance measure on microstructure space that accounts for statistical similarity at multiple scales, improving microstructure comparison and validation methods.

Findings

The distance correlates with statistical similarity of microstructures.

It effectively distinguishes between different synthetic microstructures.

The method facilitates querying and validation of microstructure databases.

Abstract

Material microstructures are traditionally compared using sets of statistical measures that are incomplete, e.g., two visually distinct microstructures can have identical grain size distributions and phase fractions. While this is not a severe concern for materials fabricated by traditional means, the microstructures produced by advanced manufacturing methods can depend sensitively and unpredictably on the processing conditions. Moreover, the advent of computational materials design has increased the frequency of synthetic microstructure generation, and there is not yet a standard approach in the literature to validate the generated microstructures with experimental ones. This work proposes an idealized distance on the space of single-phase polycrystalline microstructures such that two microstructures that are close with respect to the distance exhibit statistically similar grain geometries in all respects below a user-specified length scale. Given a pair of micrographs, the distance is approximated by sampling windows from the micrographs, defining a distance between pairs of windows, and finding a window matching that minimizes the sum of pairwise window distances. The approach is used to compare a variety of synthetic microstructures and to develop a procedure to query a proof-of-concept database suitable for general single-phase polycrystalline microstructures.