Phase behavior of decorated soft disks in two dimensions

M Borowko and W Rzysko and S Sokolowski and T Staszewski, JOURNAL OF CHEMICAL PHYSICS, 145, 224703 (2016).

DOI: 10.1063/1.4971184

Molecular dynamics simulations are used to investigate the phase behavior of disks decorated with small ligands in two-dimensional films. We consider disks with four ligands, which are fixed at vertices of a square or slide over the circle delimiting the core. For selected model systems, phase diagrams are evaluated and discussed. We show that ligand mobility can change the topology of phase diagrams. In particular, it can affect fluid-solid transitions, changing the solid phase symmetry. Moreover, the mobility of ligands can either hamper or facilitate crystallization. Published by AIP Publishing.

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