A. Scala et al., Waterlike anomalies for core-softened models of fluids: Two-dimensional systems - art. no. 041202, PHYS REV E, 6304(4), 2001, pp. 1202
We use molecular-dynamics simulations in two dimensions to investigate the
possibility that a core-softened potential can reproduce static and dynamic
anomalies found experimentally in liquid water: (i) the increase in specif
ic volume upon cooling, (ii) the increase in isothermal compressibility upo
n cooling, and (iii) the increase in the diffusion coefficient with pressur
e. We relate these anomalies to the shape of the potential. We obtain the p
hase diagram of the system and identify two solid phases: a square crystal
(high-density phase) and a triangular crystal (low-density phase). We also
discuss the relation between the anomalies observed and the polymorphism of
the solid. Finally, we compare the phase diagram of our model system with
experimental data, noting especially the line of temperatures of maximum de
nsity, the line of pressures of maximum diffusion constant, and the line of
temperatures of minimum isothermal compressibility.