Waterlike thermodynamic anomalies in a repulsive-shoulder potential system
| Authors |
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| Publication date |
2009
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| Journal |
Physical Review E
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| Volume | Issue number |
79 | 5
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| Pages (from-to) |
051202
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| Number of pages |
6
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| Organisations |
-
Faculty of Science (FNWI) - Van 't Hoff Institute for Molecular Sciences (HIMS)
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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.
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| Document type |
Article
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| Published at |
https://doi.org/10.1103/PhysRevE.79.051202
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