Singh, Swarn Lata ; Singh, Yashwant (2009) Crystallization of fluids: Free-energy functional for symmetry breaking first-order freezing transition EPL: Europhysics Letters, 88 (1). pp. 16005-17001. ISSN 0295-5075
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Official URL: http://iopscience.iop.org/0295-5075/88/1/16005
Related URL: http://dx.doi.org/10.1209/0295-5075/88/16005
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)= ∈ ( σ /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≤6) the b.c.c. structure is more stable.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to EDP Sciences. |
| ID Code: | 73173 |
| Deposited On: | 02 Dec 2011 11:03 |
| Last Modified: | 02 Dec 2011 11:03 |
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