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 | https://doi.org/10.1209/0295-5075/88/16005 | |
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: singhyas_in@yahoo.co.in
Received:
13
July
2009
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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