Testing the isomorph invariance of the bridge functions of Yukawa one-component plasmas

Federico Lucco Castello*, Panagiotis Tolias, Jeppe Dyre

*Corresponding author

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

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 employing structural input from ultra-accurate molecular dynamics simulations and inside
the correlation void with the cavity distribution method employing structural input from ultra-long specially designed molecular dynamics
simulations featuring a tagged particle pair. Yukawa bridge functions are revealed to be isomorph invariant to a very high degree. The observed
invariance is not exact, however, since isomorphic deviations exceed the overall uncertainties
OriginalsprogEngelsk
Artikelnummer034501
TidsskriftJournal of Chemical Physics
Vol/bind154
Udgave nummer3
Antal sider21
ISSN0021-9606
DOI
StatusUdgivet - 21 jan. 2021

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