Derivation of the phase field crystal model for colloidal solidification
Abstract
The phase-field crystal model is by now widely used in order to predict crystal nucleation and growth. For colloidal solidification with completely overdamped individual particle motion, we show that the phase-field crystal dynamics can be derived from the microscopic Smoluchowski equation via dynamical density functional theory. The different underlying approximations are discussed. In particular, a variant of the phase-field crystal model is proposed which involves less approximations than the standard phase-field crystal model. We finally test the validity of these phase-field crystal models against dynamical density functional theory. In particular, the velocities of a linear crystal front from the undercooled melt are compared as a function of the undercooling for a two-dimensional colloidal suspension of parallel dipoles. Good agreement is only obtained by a drastic scaling of the free energies in the phase-field crystal model in order to match the bulk freezing transition point.
Cite
@article{arxiv.0902.3363,
title = {Derivation of the phase field crystal model for colloidal solidification},
author = {Sven van Teeffelen and Rainer Backofen and Axel Voigt and Hartmut Löwen},
journal= {arXiv preprint arXiv:0902.3363},
year = {2009}
}
Comments
11 pages, 5 figures; corrected typos, minor changes after review