Department of Applied Physics, Aalto University School of Science and Technology, PO Box 11000, FI-00076 Aalto, Finland.
J Phys Condens Matter. 2010 May 26;22(20):205402. doi: 10.1088/0953-8984/22/20/205402. Epub 2010 Apr 30.
We determine the phase diagram of the phase field crystal model in three dimensions by using numerical free energy minimization methods. Previously published results, based on single mode approximations, have indicated that in addition to the uniform (liquid) phase, there would be regions of stability of body-centered cubic, hexagonal and stripe phases. We find that in addition to these, there are also regions of stability of face-centered cubic and hexagonal close packed structures in this model.
我们通过数值自由能最小化方法确定了三维相场晶体模型的相图。以前发表的基于单模近似的结果表明，除了均匀（液体）相之外，还会有体心立方、六方和条纹相的稳定区域。我们发现，除了这些之外，在这个模型中还有面心立方和六方密堆积结构的稳定区域。
