Numerical tests of nucleation theories for the Ising models

Abstract

The classical nucleation theory (CNT) is tested systematically by computer simulations of the two-dimensional (2D) and three-dimensional (3D) Ising models with a Glauber-type spin flip dynamics. While previous studies suggested potential problems with CNT, our numerical results show that the fundamental assumption of CNT is correct. In particular, the Becker-Doring theory accurately predicts the nucleation rate if the correct droplet free energy function is provided as input. This validates the coarse graining of the system into a one dimensional Markov chain with the largest droplet size as the reaction coordinate. Furthermore, in the 2D Ising model, the droplet free energy predicted by CNT matches numerical results very well, after a logarithmic correction term from Langer's field theory and a constant correction term are added. But significant discrepancies are found between the numerical results and existing theories on the magnitude of the logarithmic correction term in the 3D Ising model. Our analysis underscores the importance of correctly accounting for the temperature dependence of surface energy when comparing numerical results and nucleation theories.