Open this publication in new window or tab >>2021 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 154, no 3, article id 034501Article in journal (Refereed) Published
Abstract [en]
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.
Place, publisher, year, edition, pages
AIP Publishing, 2021
National Category
Physical Chemistry Control Engineering
Identifiers
urn:nbn:se:kth:diva-292475 (URN)10.1063/5.0036226 (DOI)000630464500001 ()33499616 (PubMedID)2-s2.0-85099738524 (Scopus ID)
Note
QC 20210412
2021-04-122021-04-122022-06-25Bibliographically approved