摘要
利用第一性原理计算了Ti-35Nb(质量分数,%)合金的广义层错能,并讨论了合金中Nb原子占位对β→ω相变的影响。结果表明:在β相中沿{112}<111>滑移系开动会引起β→ω相变,形成ω相和孪晶相间隔的"三明治"结构,包含最近邻Nb原子链的{112}<111>滑移系的临界剪切应力约是2126.46 MPa,应力诱发的ω相最小尺寸约是长2.6444 nm,厚1.1297 nm;而包含次近邻Nb原子链的{112}<111>滑移系的临界剪切应力约是180.21 MPa,ω相最小尺寸约是长1.304 nm,厚0.3766 nm,较容易开动。
The generalized stacking fault energy was calculated by the first-principles and the influence of Nb atoms occupancy on the induced β→ω phase transformations was discussed in Ti-35 Nb（mass fraction, %） alloy in this work. The results show that the opening of {112}111systems in β phase can form ω phase alternated along twinning so called ＂sandwich＂ structure. Meanwhile the critical shear stress of {112}111 slip systems including the nearest neighbor Nb atoms chains is 2126.46 MPa in perfect crystal, and form the minimum ω phases with 2.6444 nm in length and 1.1297 nm in width. Furthermore, the critical shear stress of {112}111 slip systems including the next nearest neighbor Nb atoms chains is 180.21 MPa in perfect crystal, further, the minimum ω phase has 1.304 nm in length and 0.3766 nm in width.
出处
《中国有色金属学报》
EI
CAS
CSCD
北大核心
2018年第2期267-274,共8页
The Chinese Journal of Nonferrous Metals
关键词
Ti-35Nb合金
β→ω相变
原子占位
广义层错能
Ti-35Nb alloy
β→ω phase transformation
Nb atoms occupancy, generalized stacking fault energy
