期刊
PHYSICAL REVIEW E
卷 79, 期 5, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.79.051404
关键词
colloids; density functional theory; nucleation; solidification
资金
- DFG [SPP 1296]
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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