Structural Characterization of Many-Particle Systems on Approach to Hyperuniform States

Abstract

We explore quantitative descriptors that herald when a many-particle system in $d$-dimensional Euclidean space $\mathbb{R}^d$ approaches a hyperuniform state as a function of the relevant control parameter. We establish quantitative criteria to ascertain the extent of hyperuniform and nonhyperuniform distance-scaling regimes n terms of the ratio $B/A$, where $A$ is "volume" coefficient and $B$ is "surface-area" coefficient associated with the local number variance $\sigma^2(R)$ for a spherical window of radius $R$. To complement the known direct-space representation of the coefficient $B$ in terms of the total correlation function $h({\bf r})$, we derive its corresponding Fourier representation in terms of the structure factor $S({\bf k})$, which is especially useful when scattering information is available experimentally or theoretically. We show that the free-volume theory of the pressure of equilibrium packings of identical hard spheres that approach a strictly jammed state either along the stable crystal or metastable disordered branch dictates that such end states be exactly hyperuniform. Using the ratio $B/A$, the hyperuniformity index $H$ and the direct-correlation function length scale $\xi_c$, we study three different exactly solvable models as a function of the relevant control parameter, either density or temperature, with end states that are perfectly hyperuniform. We analyze equilibrium hard rods and "sticky" hard-sphere systems in arbitrary space dimension $d$ as a function of density. We also examine low-temperature excited states of many-particle systems interacting with "stealthy" long-ranged pair interactions as the temperature tends to zero. The capacity to identify hyperuniform scaling regimes should be particularly useful in analyzing experimentally- or computationally-generated samples that are necessarily of finite size.