Issue
EPL
Volume 88, Number 1, October 2009
Article Number 16005
Number of page(s) 6
Section Condensed Matter: Structural, Mechanical and Thermal Properties
DOI http://dx.doi.org/10.1209/0295-5075/88/16005
Published online 27 October 2009
EPL, 88 (2009) 16005
DOI: 10.1209/0295-5075/88/16005

Crystallization of fluids: Free-energy functional for symmetry breaking first-order freezing transition

Swarn Lata Singh and Yashwant Singh

Department of Physics, Banaras Hindu University - Varanasi-221 005, India

singhyas_in@yahoo.co.in

received 13 July 2009; accepted in final form 29 September 2009; published October 2009
published online 27 October 2009

Abstract
A free-energy functional for a crystal that contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function is developed. To test how accurately this free-energy functional describes the symmetry breaking first-order phase transition of freezing, we use it to investigate the crystallization of fluids interacting via the inverse power potential; u(r) = $\epsilon(\sigma /r)^{n}$. In agreement with simulation results we find that under the fluid-solid co-existence the f.c.c. structure is more stable for n=12, whereas for soft repulsions (n $\leq$ 6) the b.c.c. structure is more stable.

PACS
64.70.dm - General theory of the solid-liquid transition.
64.70.dg - Crystallization of specific substances.
05.70.Fh - Phase transitions: general studies.

© EPLA 2009