Energy Landscapes of Planar Colloidal Clusters
Royal Society of Chemistry
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Morgan, J., & Wales, D. (2014). Energy Landscapes of Planar Colloidal Clusters. Nanoscale, 6 10717-10726. https://doi.org/10.1039/C4NR02670E
A short-ranged pairwise Morse potential is used to model colloidal clusters with planar morphologies. Potential and free energy global minima as well as rearrangement paths, obtained by basin-hopping global optimisation and discrete path sampling, are characterised. The potential and free energy landscapes are visualised using disconnectivity graphs. The short-ranged potential is found to favour close-packed structures, with the potential energy primarily controlled by the number of nearest neighbour contacts. In the case of quasi-degeneracy the free energy global minimum may differ from the potential energy global minimum. This difference is due to symmetry effects, which result in a higher entropy for structures with lower symmetry.
This work was financially supported by the EPSRC and the ERC. J.M. acknowledges the support of a Sackler Studentship from the University of Cambridge.
External DOI: https://doi.org/10.1039/C4NR02670E
This record's URL: https://www.repository.cam.ac.uk/handle/1810/245985
Attribution 2.0 UK: England & Wales
Licence URL: http://creativecommons.org/licenses/by/2.0/uk/