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

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 $u(r)=\epsilon (\sigma /r{)}^n$ 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.

21 pages, 6 figures

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• Computer simulations of two-dimensional melting with dipole-dipole interactions
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Cited by in corpus (4)

• Thermodynamics and dynamics of two-dimensional systems with dipole-like repulsive interactions
• Fluid - solid transition in simple systems using density functional theory
• Correlation functions in liquids and crystals : Free energy functional and liquid - crystal transition
• Integral Equation Theory for Pair Correlation Functions in a Crystal