Controlling crystal symmetries in phase-field crystal models

KA Wu, M Plapp, PW Voorhees - Journal of Physics: Condensed …, 2010 - iopscience.iop.org
KA Wu, M Plapp, PW Voorhees
Journal of Physics: Condensed Matter, 2010iopscience.iop.org
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 the coexistence between squares and hexagons can be easily
obtained. In contrast, it is delicate to obtain the 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 …
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 the coexistence between squares and hexagons can be easily obtained. In contrast, it is delicate to obtain the 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.
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