CRYSTALLIZATION OF MOLECULAR LIQUIDS THROUGH SHEAR-INDUCED NUCLEATION

We report that a shear-induced transition to an ordered state occurs i n simulations of condensed molecular systems and that positional order ing can persist after shearing has stopped. Moreover, we calculate tha t shear fluctuations sufficient to induce microscopic ordering can occ ur in equilibrium fluids. We conclude that microscopic ordering induce d by shear fluctuations provides a mechanism for homogeneous nucleatio n of the phase transition from liquid to crystal in real molecular sys tems and may therefore be used as the basis of a computational techniq ue for investigating the crystallization of molecular liquids.