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Hierarchy of anomalies in the two-dimensional Mercedes-Benz model of water

  • University of Ljubljana

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

We investigate by Monte Carlo simulations density, diffusion, and structural anomalies of the simple two-dimensional Mercedes-Benz (MB) model of water, which is a very simple toy model for explaining the origin of water properties. MB water molecules are modeled as two-dimensional Lennard-Jones disks, with three orientation-dependent hydrogen-bonding arms, arranged as in the MB logo. The model is in a way also a variance of silica-like models. Beside the known thermodynamic anomaly for the model we also found diffusion and structural anomalies and map out the cascade of density, structural, pair entropy, and diffusivity anomalies for MB model. The orientational order parameters with three and six-fold symmetry were determined and maximum for each one observed. The anomalies occur in hierarchy order, which is a slight variation of the hierarchy order in real water. The diffusion anomaly region is the innermost in the hierarchy while for water it is the density anomaly region.

Original languageEnglish
Article number032116
JournalPhysical Review E
Volume98
Issue number3
DOIs
StatePublished - Sep 11 2018

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