Reversible self-assembly of patchy particles into monodisperse clusters

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Abstract
We systematically study the design of simple patchy sphere models that reversibly self-assemble into monodisperse clusters. The optimal patch width is a compromise between structural specificity (the patches must be narrow enough to energetically select the desired clusters) and kinetic accessibility (they must be sufficiently wide to avoid kinetic traps). Ordered clusters can form through a number of different dynamic pathways, including direct nucleation and indirect pathways through large disordered intermediates. For intermediate patch widths we find a reentrant liquid to gas transition upon lowering the temperature.

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