Derivation of the phase-field-crystal model for colloidal solidification

Sven van Teeffelen, Rainer Backofen, Axel Voigt, and Hartmut Löwen
Phys. Rev. E 79, 051404 – Published 27 May 2009

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.

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  • Received 19 February 2009

DOI:https://doi.org/10.1103/PhysRevE.79.051404

©2009 American Physical Society

Authors & Affiliations

Sven van Teeffelen1,*, Rainer Backofen2,†, Axel Voigt2, and Hartmut Löwen1

  • 1Institut für Theoretische Physik II, Weiche Materie, Heinrich-Heine-Universität Düsseldorf, D-40225 Düsseldorf, Germany
  • 2Institute of Scientific Computing, Technical University Dresden, D-01062 Dresden, Germany

  • *teeffelen@thphy.uni-duesseldorf.de
  • rainer.backofen@tu-dresden.de

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Issue

Vol. 79, Iss. 5 — May 2009

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