Waterlike hierarchy of anomalies in a continuous spherical shouldered potential.
We investigate by molecular dynamics simulations a continuous isotropic core-softened potential with attractive well in three dimensions, introduced by Franzese [J. Mol. Liq. 136, 267 (2007)], that displays liquid-liquid coexistence with a critical point and waterlike density anomaly. Besides the thermodynamic anomalies, here we find diffusion and structural anomalies. The anomalies, not observed in the discrete version of this model, occur with the same hierarchy that characterizes water. We discuss the differences in the anomalous behavior of the continuous and the discrete model in the framework of the excess entropy, calculated within the pair correlation approximation.
de Oliveira
Alan Barros
AB
Instituto de Física, Universidade Federal do Rio Grande do Sul, Caixa Postal 15051, 91501-970 Porto Alegre, Rio Grande do Sul, Brazil. oliveira@if.ufrgs.br
Franzese
Giancarlo
G
Netz
Paulo A
PA
Barbosa
Marcia C
MC