Volume 88, Number 1, October 2009
|Number of page(s)||6|
|Section||Condensed Matter: Structural, Mechanical and Thermal Properties|
|Published online||27 October 2009|
Crystallization of fluids: Free-energy functional for symmetry breaking first-order freezing transition
Department of Physics, Banaras Hindu University - Varanasi-221 005, India
Corresponding author: email@example.com
Accepted: 29 September 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; = . In agreement with simulation results we find that under the fluid-solid co-existence the f.c.c. structure is more stable for , whereas for soft repulsions (n ≤ 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
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