Year: 2013
Type: article
Abstract: A free-energy functional for a crystal proposed by Singh and Singh [Europhys. Lett. 88, 16005 (2009)] 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 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.
Source: Physical Review E
Authors: Anubha Jaiswal, Swarn L. Singh, Yashwant Singh
Institution: Banaras Hindu University
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
Funder: University Grants Commission
OpenAlex ID: W2010770514