Waterlike thermodynamic anomalies in a repulsive-shoulder potential system
| Authors |
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| Publication date | 2009 |
| Journal | Physical Review E |
| Volume | Issue number | 79 | 5 |
| Pages (from-to) | 051202 |
| Number of pages | 6 |
| Organisations |
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| Abstract | We report a computer-simulation study of the equilibrium phase diagram of a three-dimensional system of particles with a repulsive-shoulder potential. The phase diagram was obtained using free-energy calculations. At low temperatures, we observe a number of distinct crystal phases. We show that at certain values of the potential parameters the system exhibits the waterlike thermodynamic anomalies: a density anomaly and a diffusion anomaly. The anomalies disappear with increasing the repulsive step width: more precisely, their locations move to the region where the crystalline phase is stable. |
| Document type | Article |
| Published at |
https://doi.org/10.1103/PhysRevE.79.051202
(Final published version)
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