Structural characterization of many-particle systems on approach to hyperuniform states

The study of hyperuniform states of matter is an emerging multidisciplinary field, impinging on topics in the physical sciences, mathematics, and biology. The focus of this work is the exploration of quantitative descriptors that herald when a many-particle system in d-dimensional Euclidean space Rd 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 as well as the crossover point between them in terms of the "volume"coefficient A and "surface-area"coefficient B associated with the local number variance σ2(R) for a spherical window of radius R. The larger the ratio B/A, the larger the hyperuniform scaling regime, which becomes of infinite extent in the limit B/A→∞. To complement the known direct-space representation of the coefficient B in terms of the total correlation function h(r), we derive its corresponding Fourier representation in terms of the structure factor S(k), which is especially useful when scattering information is available experimentally or theoretically. We also demonstrate 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, as well as other diagnostic measures of hyperuniformity, including the hyperuniformity index H and the direct-correlation function length scale ζc, 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. Specifically, we analyze equilibrium systems of 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, where the ground states are disordered, hyperuniform, and infinitely degenerate. We demonstrate that our various diagnostic hyperuniformity measures are positively correlated with one another. The same diagnostic measures can be used to detect the degree to which imperfections in nearly hyperuniform systems cause deviations from perfect hyperuniformity. Moreover, the capacity to identify hyperuniform scaling regimes should be particularly useful in analyzing experimentally or computationally generated samples that are necessarily of finite size.