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

Shang-Chun Lin,M. Oettel

Published 2018 in Physical Review E

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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