Condensed Matter Theory

Abstract:

We systematically study the design of simple patchy sphere models that reversibly self-assemble into monodisperse icosahedral clusters. We find that 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). Similarly, for good yields the temperature must be low enough for the clusters to be thermodynamically stable, but the clusters must also have enough thermal energy to allow incorrectly formed bonds to be broken. Ordered clusters can form through a number of different dynamic pathways, including direct nucleation and indirect pathways involving large disordered intermediates. The latter pathway is related to a reentrant liquid-to-gas transition that occurs for intermediate patch widths upon lowering the temperature. We also find that the assembly process is robust to inaccurate patch placement up to a certain threshold and that it is possible to replace the five discrete patches with a single ring patch with no significant loss in yield.

Abstract:

We describe the occurrence and properties of liquid crystal phases showing two dimensional splay and bend distortions which are stabilized by flexoelectric interactions. These phases are characterized by regions of locally double splayed order separated by topological defects and are thus analogous to the blue phases of cholesteric liquid crystals. We present a mean-field analysis based upon the Landau-de Gennes Q-tensor theory and construct a phase diagram for flexoelectric structures using analytic and numerical results. We stress the similarities and discrepancies between the cholesteric and flexoelectric cases.