Crystallization of fluids: Free-energy functional for symmetry breaking first-order freezing transitionSwarn Lata Singh and Yashwant Singh
Department of Physics, Banaras Hindu University - Varanasi-221 005, India
received 13 July 2009; accepted in final form 29 September 2009; published October 2009
published online 27 October 2009
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) = . 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 6) the b.c.c. structure is more stable.
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