Controlling crystal symmetries in phase-field crystal models

Abstract

We investigate the possibility to control the symmetry of ordered states in phase-field crystal models by tuning nonlinear resonances. In two dimensions, we find that a state of square symmetry as well as coexistence between squares and hexagons can be easily obtained. In contrast, it is delicate to obtain coexistence of squares and liquid. We develop a general method for constructing free energy functionals that exhibit solid-liquid coexistence with desired crystal symmetries. As an example, we develop a free energy functional for square-liquid coexistence in two dimensions. A systematic analysis for determining the parameters of the necessary nonlinear terms is provided. The implications of our findings for simulations of materials with simple cubic symmetry are discussed.

19 pages, 6 figures

References in corpus (6)

• Phase-field crystal study of grain-boundary premelting
• Derivation of the phase field crystal model for colloidal solidification
• Free energy functionals for efficient phase field crystal modeling of structural phase transformations
• Phase-field crystal modeling of equilibrium bcc-liquid interfaces
• Phase-field-crystal model for fcc ordering
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