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arXiv · 1210.0703

Freezing of a two dimensional fluid in to a crystalline phase : Density functional approach

Anubha Jaiswal·Swarn L. Singh·Yashwant Singh
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Abstract

A free-energy functional for a crystal proposed by Singh and Singh (Europhys. Lett. {\bf {88}}, 16005 (2009)) and which contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function has been used to investigate the crystallization of a two-dimensional fluid. The results found for fluids interacting via the inverse power potential $ u(r)= ε(σ/{r})^{n} $ for n= 3, 6 and 12 are in good agreement with experimental and simulation results. The contribution made by the symmetry broken part to the grand thermodynamic potential at the freezing point is found to increase with the softness of the potential. Our results explain why the Ramakrishnan-Yussouff (Phys. Rev. B {\bf 19}, 2775 (1979)) free-energy functional gave good account of freezing transitions of hard-core potentials but failed for potentials that have soft core and/or attractive tail.

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Anubha Jaiswal, Swarn L. Singh, Yashwant Singh. 2012-10-02. Freezing of a two dimensional fluid in to a crystalline phase : Density functional approach. https://doi.org/10.1103/physreve.87.012309

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