Universal Nucleation Behaviour of Sheared Systems

The study of shear-affected nucleation is a burgeoning field, with far-reaching implications for industry and several branches of science. In this work, we combine a modified CNT approach with equilibrium and non-equilibrium simulations to describe the shear-dependent nucleation behaviour of the TIP4P/2005, TIP4P/Ice, mW water models, and a Lennard-Jones system. We are able to generate extensive results for low to moderate supercoolings and a wide range of shear rates, for which brute-force molecular dynamics is impractical. Our analyses reveal that a maximum in the nucleation rate with shear, at a particular supercooling, is universal. Furthermore, we demonstrate how simple parabolic fits can accurately describe the nucleation behaviour of every system analyzed. The temperature dependence of this nucleation behaviour is also examined systematically, unearthing the possibility of anomalous properties of water.