English

Minimum free-energy path of homogenous nucleation from the phase-field equation

Materials Science 2015-05-13 v1

Abstract

The minimum free-energy path (MFEP) is the most probable route of the nucleation process on the multidimensional free-energy surface. In this study, the phase-field equation is used as a mathematical tool to deduce the minimum free-energy path (MFEP) of homogeneous nucleation. We use a simple square-gradient free-energy functional with a quartic local free-energy function as an example and study the time evolution of a single nucleus placed within a metastable environment. The time integration of the phase-field equation is performed using the numerically efficient cell-dynamics method. By monitoring the evolution of the size of the nucleus and the free energy of the system simultaneously, we can easily deduce the free-energy barrier as a function of the size of the sub- and the super-critical nucleus along the MFEP.

Keywords

Cite

@article{arxiv.0906.0805,
  title  = {Minimum free-energy path of homogenous nucleation from the phase-field equation},
  author = {Masao Iwamatsu},
  journal= {arXiv preprint arXiv:0906.0805},
  year   = {2015}
}

Comments

8 pages, 5 figures, Journal of Chemical Physics accepted for publication