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

作　　者：陈成 陈铮 张静 杨涛 杜秀娟 

机构地区：[1]State Key Laboratory of Solidification Processing,Northwestern Polytechnical University

出　　处：《Chinese Physics B》2012年第11期500-506,共7页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China (Grant Nos.51075335,51174168,10902086,and 51274167);the NPU Foundation for Fundamental Research,China (Grant Nos. 201109 and NPU-FFR-JC201005)

摘　　要：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.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.

关 键 词：phase field crystal misfit dislocations heteroepitaxial growth 

分 类 号：O781[理学—晶体学] TM271.2[一般工业技术—材料科学与工程]