Free energy surface of two-step nucleation

We test the theoretical free energy surface (FES) for two-step nucleation (TSN) proposed by Iwamatsu [J. Chem. Phys. 134, 164508 (2011)] comparing predictions of theory to numerical results FES recently reported from Monte Carlo simulations TSN in a simple lattice system [James, et al., J. 150, 074501 (2019)]. No adjustable parameters are used make this comparison. That is, all evaluated directly model system, yielding predicted which we then compare obtained simulations. find that successfully predicts numerically-evaluated over range thermodynamic conditions spans distinct regimes behavior associated with TSN. All qualitative features captured and quantitative comparison is also very good. Our demonstrate Iwamatsu's extension classical provides an excellent framework understanding thermodynamics