Abstract
The free energy of classical density functional theory of an
inhomogeneous fluid at coexistence with its solid is used to describe
solidification in two-dimensional hexagonal crystals. A coarse-graining
formalism from the microscopic density functional level to the
macroscopic single order parameter level is provided. An analytic
expression for the surface energy and the angular dependence of its
anisotropy is derived and its coefficients related to the two-point
direct correlation function of the liquid phase at coexistence.
Original language | English |
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Article number | 011607 |
Number of pages | 12 |
Journal | Physical review E |
Volume | 79 |
Issue number | 1 |
DOIs | |
Publication status | Published - 2009 |
MoE publication type | A1 Journal article-refereed |
Keywords
- density functional theory
- free energy
- liquid theory
- solidification
- surface energy