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

Federico Lucco Castello; Panagiotis Tolias; Jeppe Dyre

doi:10.1063/5.0036226

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

Federico Lucco Castello^*
, Panagiotis Tolias
, Jeppe Dyre

^*Corresponding author

Institut for Naturvidenskab og Miljø

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

20 Citationer (Scopus)

112 Downloads (Pure)

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

Originalsprog	Engelsk
Artikelnummer	034501
Tidsskrift	Journal of Chemical Physics
Vol/bind	154
Udgave nummer	3
Antal sider	21
ISSN	0021-9606
DOI	https://doi.org/10.1063/5.0036226
Status	Udgivet - 21 jan. 2021

Finansiering

Funding Information: The authors would like to acknowledge the financial support of the Swedish National Space Agency under Grant No. 143/16. This work was also partially supported by VILLUM Foundation under Grant No. 16515 (Matter). GPU molecular dynamics simulations were carried out at the Glass and Time computer cluster (Roskilde University). CPU molecular dynamics simulations were carried out on resources provided by the Swedish National Infrastructure for Computing (SNIC) at the NSC (Linköping University) partially funded by the Swedish Research Council through Grant Agreement No. 2016-07213.

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10.1063/5.0036226Licens: CC BY

Testing the isomorph invariance of the bridgefunctions of Yukawa one-component plasmasForlagets udgivne version, 2,32 MBLicens: CC BY

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