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Issue 18, 2014
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Energy landscapes of planar colloidal clusters

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Abstract

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.

Graphical abstract: Energy landscapes of planar colloidal clusters

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Publication details

The article was received on 15 May 2014, accepted on 15 Jul 2014 and first published on 24 Jul 2014


Article type: Paper
DOI: 10.1039/C4NR02670E
Citation: Nanoscale, 2014,6, 10717-10726
  • Open access: Creative Commons BY license
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    Energy landscapes of planar colloidal clusters

    J. W. R. Morgan and D. J. Wales, Nanoscale, 2014, 6, 10717
    DOI: 10.1039/C4NR02670E

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