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

نویسندگان

  • Sven van Teeffelen
  • Rainer Backofen
  • Axel Voigt
  • Hartmut Löwen
چکیده

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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عنوان ژورنال:
  • Physical review. E, Statistical, nonlinear, and soft matter physics

دوره 79 5 Pt 1  شماره 

صفحات  -

تاریخ انتشار 2009