Phase behavior of decorated soft disks in two dimensions

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 diagr...

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Veröffentlicht in:The Journal of chemical physics 2016-12, Vol.145 (22), p.224703-224703
Hauptverfasser: Borówko, M., Rżysko, W., Sokołowski, S., Staszewski, T.
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4971184