We investigate a phase-field-crystal model for homogeneous nucleation. Instead of solving the time evolution of a density field towards equilibrium we use a String Method to identify saddle points in phase space. The saddle points allow to obtain the nucleation barrier and the critical nucleus. The advantage of using the phase-field-crystal model for this task is its ability to resolve atomistic effects. The obtained results indicate different properties of the critical nucleus compared with bulk crystals and show a detailed description of the nucleation process.
@article{arxiv.1002.0250,
title = {A phase-field-crystal approach to critical nuclei},
author = {Rainer Backofen and Axel Voigt},
journal= {arXiv preprint arXiv:1002.0250},
year = {2014}
}