title: Localized orientational order chaperones the nucleation of rotator phases in hard polyhedral particles.
abstract: The nucleation kinetics of the rotator phase in hard cuboctahedra, truncated octahedra, and rhombic dodecahedra is simulated via a combination of forward flux sampling and umbrella sampling. For comparable degrees of supersaturation, the polyhedra are found to have significantly lower free-energy barriers and faster nucleation rates than hard spheres. This difference primarily stems from localized orientational ordering, which steers polyhedral particles to pack more efficiently. Orientational order hence fosters here the growth of orientationally disordered nuclei.
authors.affiliation: School of Chemical and Biomolecular Engineering, Cornell University, Ithaca, New York 14853, USA.
authors.forename: Vikram
authors.initials: V
authors.lastname: Thapar
authors.affiliation: School of Chemical and Biomolecular Engineering, Cornell University, Ithaca, New York 14853, USA.
authors.forename: Fernando A
authors.initials: FA
authors.lastname: Escobedo