We report a computer-simulation study of the equilibrium phase diagram of a three-dimensional system of particles with a repulsive step potential. The phase diagram is 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 water-like thermodynamic anomalies: density anomaly and diffusion anomaly. The anomalies disappear with increasing the repulsive step width: their locations move to the region inside the crystalline phase.
@article{arxiv.0812.4922,
title = {Waterlike thermodynamic anomalies in a repulsive-step potential system},
author = {N. V. Gribova and Yu. D. Fomin and Daan Frenkel and V. N. Ryzhov},
journal= {arXiv preprint arXiv:0812.4922},
year = {2015}
}