Dynamic Measure of Hyperuniformity and Nonhyperuniformity in Heterogeneous Media via the Diffusion Spreadability

TL;DR

This paper introduces a diffusion-based measure called spreadability to analyze microstructure in heterogeneous media, enabling the characterization of hyperuniformity and nonhyperuniformity across multiple length scales.

Contribution

It explicitly computes spreadability for various model structures, linking diffusive transport to microstructural features and developing an algorithm for large-scale structural analysis from diffusion data.

Findings

Spreadability captures microstructural features at different time scales.

Long-time spreadability reveals spectral density parameters robustly.

Application to sandstone shows practical microstructural characterization.

Abstract

The recently developed concept of spreadability, $\mathcal{S}(t)$, provides a direct link between time-dependent diffusive transport and the microstructure of two-phase media across length scales. We explicitly compute $\mathcal{S}(t)$ for well-known two-dimensional and three-dimensional model structures, including nonhyperuniform fully penetrable spheres and equilibrium hard spheres, as well as hyperuniform sphere packings derived from perfect glasses, uniformly randomized lattices (URL), disordered stealthy point processes and Bravais lattices. We further confirm that the small-, intermediate- and long-time behaviors of $\mathcal{S}(t)$ sensitively capture the small-, intermediate- and large-scale characteristics of the models. In instances in which the spectral density $\tilde{\chi}_{_V}(\mathbf{k})$ has a power-law form $B|\mathbf{k}|^\alpha$ in the limit $|\mathbf{k}|\rightarrow 0$, the long-time spreadability provides a simple means to extract the value of the coefficients $\alpha$ and $B$ that is robust against noise in $\tilde{\chi}_{_V}(\mathbf{k})$ at small wavenumbers. Interestingly, the excess spreadability $\mathcal{S}(\infty)-\mathcal{S}(t)$ for URL packings has nearly exponential decay at small to intermediate $t$, but transforms to a power-law decay at large $t$. Our study of the aforementioned models enables us to devise an algorithm that accurately extracts large-scale behaviors from diffusion data alone. Lessons learned from such analyses of our models are used to determine accurately the large-scale structural characteristics of a sample Fontainebleau sandstone, which we show is nonhyperuniform. Our study demonstrates the practical applicability of the diffusion spreadability to extract crucial microstructural information from real data across length scales and provides a basis for the inverse design of materials with desirable time-dependent diffusion properties.