title: Molecular mechanism for the cross-nucleation between polymorphs.
abstract: We use molecular simulations to study the early stages of crystallization in a supercooled liquid of Lennard-Jones particles. We observe the onset of concomitant polymorphism and demonstrate that this phenomenon results from the cross-nucleation of a metastable polymorph on the stable polymorph. We also show that cross-nucleation is selective as it only takes place between polymorphs of almost equivalent free energy. Our simulations provide detailed insights into the molecular mechanism underlying concomitant polymorphism and cross-nucleation between polymorphs.
authors.affiliation: Department of Chemical Engineering, University of South Carolina, 301 South Main Street, Columbia, South Carolina 29201, USA.
authors.forename: Caroline
authors.initials: C
authors.lastname: Desgranges
authors.forename: Jerome
authors.initials: J
authors.lastname: Delhommelle