Faceting transitions in crystal growth and heteroepitaxial growth in the anisotropic phase-field crystal model

We modify the anisotropic phase-field crystal model （APFC）, and present a semi-implicit spectral method to numerically solve the dynamic equation of the APFC model. The process results in the acceleration of computations by orders of magnitude relative to the conventional explicit finite-difference...

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Bibliographic Details
Published in:Chinese physics B 2012-11, Vol.21 (11), p.500-506
Main Author: 陈成 陈铮 张静 杨涛 杜秀娟
Format: Article
Language:English
Subjects:
Anisotropy
APFC
Arrays
Crystal growth
Crystals
Dislocations
Dynamics
Mathematical analysis
Mathematical models
各向异性模型
失配位错
异质外延生长
晶体生长
有限差分格式
模型车
相场
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Summary:We modify the anisotropic phase-field crystal model （APFC）, and present a semi-implicit spectral method to numerically solve the dynamic equation of the APFC model. The process results in the acceleration of computations by orders of magnitude relative to the conventional explicit finite-difference scheme, thereby, allowing us to work on a large system and for a long time. The faceting transitions introduced by the increasing anisotropy in crystal growth are then discussed. In particular, we investigate the morphological evolution in heteroepitaxial growth of our model. A new formation mechanism of misfit dislocations caused by vacancy trapping is found. The regular array of misfit dislocations produces a small-angle grain boundary under the right conditions, and it could significantly change the growth orientation of epitaxial layers.
ISSN:1674-1056
2058-3834
1741-4199
DOI:10.1088/1674-1056/21/11/118103