Phase diagrams and crystal-fluid surface tensions in additive and nonadditive two-dimensional binary hard-disk mixtures

Shang-Chun Lin and Martin Oettel
Phys. Rev. E 98, 012608 – Published 23 July 2018

Abstract

Using density functionals from fundamental measure theory, phase diagrams and crystal-fluid surface tensions in additive and nonadditive (Asakura-Oosawa model) two-dimensional binary hard-disk mixtures are determined for the whole range of size ratios q=smalldiameter/largediameter, assuming random disorder (lattice points or interstitial occupied by large or small disks at random) in the crystal phase. The fluid-crystal transitions are first order due to the assumption of a periodic unit cell in the density-functional calculations. Qualitatively, the shape of the phase diagrams is similar to the case of three-dimensional hard-sphere mixtures. For the nonadditive case, a broadening of the fluid-crystal coexistence region is found for small q, whereas for large q a vapor-fluid transition intervenes. In the additive case, we find a sequence of spindle-type, azeotropic, and eutectic phase diagrams upon lowering q from 1 to 0.6. The transition from azeotropic to eutectic is different from the three-dimensional case. Surface tensions in general become smaller (up to a factor 2) upon addition of a second species and they are rather small. The minimization of the functionals proceeds without restrictions and optimized graphics card routines are used.

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  • Received 16 May 2018

DOI:https://doi.org/10.1103/PhysRevE.98.012608

©2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied PhysicsPolymers & Soft Matter

Authors & Affiliations

Shang-Chun Lin* and Martin Oettel

  • Institut für Angewandte Physik, Universität Tübingen, Auf der Morgenstelle 10, 72076 Tübingen, Germany

  • *shang-chun-lin@uni-tuebingen.de
  • martin.oettel@uni-tuebingen.de

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Vol. 98, Iss. 1 — July 2018

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