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

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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Institutions

Publication Details

Journal
The Journal of Chemical Physics
Published
2024-09-05
DOI
https://doi.org/10.1063/5.0213689
Citations
5
Primary Topic
Material Dynamics and Properties
Type
article
Field-Weighted Citation Impact
0.59

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article

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

Artur D. Nasyrov, Stanislav O. Yurchenko, Nikita P. Kryuchkov, Ilya R. Denisenko
5 citations
The Journal of Chemical Physics
Material Dynamics and Properties
0.59
article

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

Artur D. Nasyrov, Stanislav O. Yurchenko, Nikita P. Kryuchkov, Ilya R. Denisenko
article en
5 citations

Abstract

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.

The Journal of Chemical PhysicsVol. 161(9)
Bauman Moscow State Technical University (RU)
Russian Science Foundation
Decent work and economic growth
Openalex Percentile: Top 34%
Material Dynamics and Properties
0.59
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