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

Federico Lucco Castello*, Panagiotis Tolias, Jeppe Dyre

*Corresponding author

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

It has been conjectured that bridge functions remain nearly invariant along phase diagram lines of constant excess entropy for the class of R-simple liquids. In the companion paper, this hypothesis has been confirmed for Yukawa bridge functions outside the correlation void. In order to complete the testing of the invariance ansatz, Yukawa bridge functions are here computed inside the correlation void with the cavity distribution method and input from ultra-long molecular dynamics simulations featuring a tagged particle pair. A general methodology is developed for the design of the tagged pair interaction potential that leads to the acquisition of uniform statistics. An extrapolation technique is developed to determine the bridge function value at zero separation. The effect of different sources of errors is quantified. Yukawa bridge functions are demonstrated to be nearly isomorph invariant also in the short range. Generalization to all R-simple systems and practical implications are discussed.
Original languageEnglish
Article number034501
JournalJournal of Chemical Physics
Volume154
Issue number3
Number of pages21
ISSN0021-9606
DOIs
Publication statusPublished - 19 Jan 2021

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