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
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 |
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Artikelnummer | 034501 |
Tidsskrift | Journal of Chemical Physics |
Vol/bind | 154 |
Udgave nummer | 3 |
Antal sider | 21 |
ISSN | 0021-9606 |
DOI | |
Status | Udgivet - 21 jan. 2021 |