Predicting active slip systems in β-Sn from ideal shear resistance
Predicting active slip systems in β-Sn from ideal shear resistance
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DOI：
10.1088/0965-0393/20/3/035003
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发表时间：
2012-04
影响因子：
1.8
通讯作者：
Y. Kinoshita;H. Matsushima;Nobutada Ohno
中科院分区：
文献类型：
--
作者：
Y. Kinoshita;H. Matsushima;Nobutada Ohno
利用第一性原理密度泛函理论分析了β-Sn中15个非等效滑移体系的理想剪切阻力。从理想剪切阻力和施密德定律出发，研究了单轴拉伸作用下β-锡单晶主动滑移体系的取向依赖关系。在15种滑移体系中，其理想抗剪能力最低。我们的计算表明，根据晶体取向的不同，单轴张力激活了7组非等效的滑移系统。本研究确定的[1 0 0]和[1 10 0]取向的主动滑动系统与实验结果一致。
We analyse the ideal shear resistances of 15 nonequivalent slip systems in β-Sn using first-principles density functional theory. From the ideal shear resistance and Schmid's law, the orientation dependence of active slip systems in a β-Sn single crystal subjected to uniaxial tension is investigated. We find that has the lowest ideal shear resistance among the 15 slip systems. Our calculations indicate that, depending on crystal orientation, uniaxial tension activates seven nonequivalent groups of slip systems. The active slip systems for [1 0 0] and [1 1 0] orientations determined in this study agree with the experimental results.