Extending classical nucleation theory to consider curvature and real-gas effects

This paper introduces a Classical Nucleation Theory framework that explicitly incorporates curvature-dependent surface tension (Tolman correction) and real-gas behavior (Van der Waals correction) to predict cavitation inception at nanoscale gaseous nuclei. Validation is achieved through molecular dynamics simulations. The findings highlight the significant role of nanoscale gaseous nuclei in lowering the tensile strength required for cavitation initiation. The results show that our new CNT formulation predicts lower cavitation pressures than the Blake threshold, closely matching molecular dynamics simulations. The Tolman correction is most relevant for nuclei below about 10 nm, while for larger nuclei its effect becomes negligible and the model reduces to a Van der Waals-only description. Finally, our results illustrate that differences between cavitation pressures using the Van der Waals and ideal gas models are greatest for smaller nuclei and lower temperatures.