Local order metrics for many-particle systems across length scales
Abstract
Formulating order metrics that sensitively quantify the degree of order/disorder in many-particle systems in -dimensional Euclidean space across length scales is an outstanding challenge in physics, chemistry, and materials science. Since an infinite set of -particle correlation functions is required to fully characterize a system, one must settle for a reduced set of structural information, in practice. We initiate a program to use the local number variance associated with a spherical sampling window of radius (which encodes pair correlations) and an integral measure derived from it that depends on two specified radial distances and . Across the first three space dimensions (), we find these metrics can sensitively describe and categorize the degree of order/disorder of 41 different models of antihyperuniform, nonhyperuniform, disordered hyperuniform, and ordered hyperuniform many-particle systems at a specified length scale . Using our local variance metrics, we demonstrate the importance of assessing order/disorder with respect to a specific value of . These local order metrics could also aid in the inverse design of structures with prescribed length-scale-specific degrees of order/disorder that yield desired physical properties. In future work, it would be fruitful to explore the use of higher-order moments of the number of points within a spherical window of radius [S. Torquato {\it et al}., Phys. Rev. X, \textbf{11}, 021028 (2021)] to devise even more sensitive order metrics.
Keywords
Cite
@article{arxiv.2408.11702,
title = {Local order metrics for many-particle systems across length scales},
author = {Charles Emmett Maher and Salvatore Torquato},
journal= {arXiv preprint arXiv:2408.11702},
year = {2025}
}
Comments
19 pages, 8 figures