Interpolating the radial distribution function in a two-dimensional fluid across a wide temperature range

NP Kryuchkov and AD Nasyrov and IR Denisenko and SO Yurchenko, JOURNAL OF CHEMICAL PHYSICS, 161, 094505 (2024).

DOI: 10.1063/5.0213689

Calculations of pair correlations in fluids usually require resource- intensive simulations or integral equations, while existing simple approximations lack accuracy. Here, we show that the pair correlation function for monolayer fluid-like systems can be decomposed into correlation peaks defined using Voronoi cells. Being properly normalized, these peaks exhibit a universal form, weak temperature dependence, and resemble those of an ideal gas, except for the first peak. As a result, we propose a simple and accurate approach to interpolate the pair correlation functions, suitable for molecular, colloids, and cellular fluids.

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