Testing the isomorph invariance of the bridge functions of Yukawa one-component plasmas. I. Intermediate and long range

TL;DR

This study investigates whether bridge functions in Yukawa one-component plasmas are invariant along phase diagram lines of constant excess entropy, using molecular dynamics and inversion methods to analyze their behavior.

Contribution

It provides the first detailed computational validation of the isomorph invariance of bridge functions in Yukawa systems outside the correlation void.

Findings

Bridge functions are approximately invariant along isomorphs in the long and intermediate range.

Quantified the effects of various errors and perturbations on the bridge function calculations.

Confirmed the conjecture of isomorph invariance for bridge functions in Yukawa plasmas.

Abstract

It has been recently conjectured that bridge functions remain nearly invariant along phase diagram lines of constant excess entropy for the broad class of R-simple liquids. To test this hypothesis, the bridge functions of Yukawa systems are computed outside the correlation void with the Ornstein-Zernike inversion method and structural input from ultra-accurate molecular dynamics simulations. The effect of statistical, grid, finite-size, tail and isomorphic errors is quantified. Uncertainty propagation analysis is complemented with a detailed investigation of the sensitivity of the bridge function to periodic and aperiodic multiplicative perturbations in the radial distribution function. In the long and intermediate range, bridge functions are demonstrated to be approximately isomorph invariant.