Phase-field simulation on the heteroepitaxial nucleation of (Fe,Co) solid solution on facet phase in undercooled liquid
Phase-field simulation on the heteroepitaxial nucleation of (Fe,Co) solid solution on facet phase in undercooled liquid
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DOI：
10.1016/j.jallcom.2013.06.188
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发表时间：
2013-11
影响因子：
6.2
通讯作者：
W. Yao;Z. Ye;N. Wang;Je-hyun Lee
中科院分区：
文献类型：
--
作者：
W. Yao;Z. Ye;N. Wang;Je-hyun Lee
用相场方法研究了Fe-41wt%Co合金中（Fe，Co）固溶体在初生相（Si）上外延生长的形核过程。详细分析了初生相晶体取向、过冷度、界面厚度、各向异性因子、有效沉积速率、初生相相场变量等因素对形核的影响。结果表明，Si {1 1 1}晶体表面的形核形态比Si {1 1 0}和Si {1 0 0}上的形核形态更完整。在深过冷时，更多的缺陷形成在核中。当界面厚度与毛细管长度之比为W 0/d 0 = 5时，晶核中的缺陷最少。随着各向异性系数的增大，核的界面扰动更加复杂。当各向异性系数ε= 0.03时，界面扰动最小，晶核形貌最完整。成核半径随着有效沉积速率从2 ML/s增加到7 ML/s而增加。当初相的相场变量取φS= 0时，核的形态最完整。
The nucleation process of (Fe,Co) solid solution epitaxially grown on the primary phase (Si) has been investigated by the phase-field method in Fe-41 wt%Co alloy. The effects on nucleation by such factors as the crystal orientation of the primary phase, the undercooling, the interface thickness, the anisotropy factor, the effective deposition rate, and the phase-field variable of primary phase were analyzed in great details. The results show that the nucleus morphology on Si {1 1 1} crystal surface is more complete than those on Si {1 1 0} and Si {1 0 0}. At high undercooling, more defects form in the nucleus. When the ratio of the interface thickness to the capillary length isW0/d0= 5, the nucleus contain the least defects. As the anisotropy coefficient increases, the interface disturbance of the nucleus is more complex. But when the anisotropy coefficient isε= 0.03, the interface disturbance is the minimal, and the nucleus morphology is the most integrated. The nucleation radius increases as the effective deposition rate rises from 2 to 7 ML/s. When the phase-field variable of primary phase takesϕS= 0, the nucleus morphology is the most complete.