Controlling crystal symmetries in phase-field crystal models

被引:42
|
作者
Wu, Kuo-An [1 ]
Plapp, Mathis [2 ]
Voorhees, Peter W. [1 ,3 ]
机构
[1] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA
[2] Ecole Polytech, CNRS, F-91128 Palaiseau, France
[3] Northwestern Univ, Dept Engn Sci & Appl Math, Evanston, IL 60208 USA
关键词
SQUARE-HEXAGONAL TRANSFORMATION; PERIODIC DOMAIN-STRUCTURES; INSTABILITY; CONVECTION;
D O I
10.1088/0953-8984/22/36/364102
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
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.
引用
收藏
页数:9
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