title: Waterlike thermodynamic anomalies in a repulsive-shoulder potential system.
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.
authors.affiliation: Institute for High Pressure Physics, Russian Academy of Sciences, Troitsk 142190, Moscow Region, Russia.
authors.forename: N V
authors.initials: NV
authors.lastname: Gribova
authors.forename: Yu D
authors.initials: YD
authors.lastname: Fomin
authors.forename: Daan
authors.initials: D
authors.lastname: Frenkel
authors.forename: V N
authors.initials: VN
authors.lastname: Ryzhov