Nucleation of FCC Crystals from Hard Polyhedra of Various Shapes

Using Monte Carlo simulations with rare event sampling methods, we present studies of the self-assembly kinetics of systems of hard polyhedra that form FCC crystals.  We report nucleation rates and related quantities as a function of particle shape and compare with those reported for hard spheres. We show how particle shape and the resulting directional entropic forces affect nucleation and in particular the formation of the critical nucleus, and from that information we construct design rules for particle shapes to optimize assembly propensity.