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arxiv: 0902.3363 · v2 · submitted 2009-02-19 · ❄️ cond-mat.soft · cond-mat.mtrl-sci· cond-mat.stat-mech

Derivation of the phase field crystal model for colloidal solidification

classification ❄️ cond-mat.soft cond-mat.mtrl-scicond-mat.stat-mech
keywords crystalphase-fieldmodelcolloidalapproximationsdensitydynamicalfunctional
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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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