Critical point for de-mixing of binary hard spheres

Hideki Kobayashi, Paul B. Rohrbach, Robert Scheichl, Nigel B. Wilding, Robert L. Jack

Research output: Contribution to journalArticle (Academic Journal)peer-review

7 Citations (Scopus)
43 Downloads (Pure)

Abstract

We use a two-level simulation method to analyse the critical point associated with demixing of binary hard sphere mixtures. The method exploits an accurate coarse-grained model with two-body and three-body effective interactions. Using this model within the two-level methodology allows computation of properties of the full (fine-grained) mixture. The critical point is located by computing the probability distribution for the number of large particles in the grand canonical ensemble, and matching to the universal form for the $3d$ Ising universality class. The results have a strong and unexpected dependence on the size ratio between large and small particles, which is related to three-body effective interactions, and the geometry of the underlying hard sphere packings.
Original languageEnglish
Article number044603
JournalPhysical Review E
Volume104
Issue number4
DOIs
Publication statusPublished - 8 Oct 2021

Bibliographical note

Funding Information:
We thank Daan Frenkel and Bob Evans for helpful discussions. This project was supported by the Leverhulme Trust (Grant No. RPG-2017-203). R.L.J. and H.K. are also grateful to the EPSRC for support in the later part of the project (Grant No. EP/T031247/1).

Funding Information:
Leverhulme Trust Engineering and Physical Sciences Research Council

Publisher Copyright:
©2021 American Physical Society

Keywords

  • cond-mat.stat-mech
  • cond-mat.soft

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