摘要
采用第一原理赝势平面波方法，并基于虚拟晶体势函数近似，计算分析了合金化元素Co的浓度变化对NiAl合金力学性能的影响。对弹性模量的计算分析结果表明，经Co合金化后，B2-NiAl晶体的硬度除x（Co）-2％外均增大，且在x（Co）=0-0．5％低浓度区间明显增大，而在x（Co）=3％～25％高浓度区间的增大幅度较小；其延性先下降后上升，且在x（Co）=0～0．5％区间仅有所下降，在x（Co）=0．5％～4％区间明显下降，而在x（Co）=4％～25％区间又逐渐增加。
Calculation and analysis were made of the effects of Co concentration on the mechanical properties of NiAl alloy based on virtual crystal approximation and using the first-principles pseudopotential plane- wave method. The results from elastic modulus calculation and analysis show that after B2-NiAl crystal is alloyed with Co, its hardness is increased except x （Co） = 2%, and obviously increased in the low concentration range of x（Co）=0-0.5 %, and the increase degree is lower in the high concentration range of x（Co）=3-25%. At the same time, the ductility of B2-NiAl crystal is decreased at first and then increased,decreased only a little at x（Co） =0-0.5% and obviously at x（Co）=0.5%-4 % ,and increased gradually at x（Co） =4%-25%.
出处
《稀有金属与硬质合金》
CAS
CSCD
北大核心
2013年第6期33-38,共6页
Rare Metals and Cemented Carbides
基金
湖南省教育厅科研项目(10C0299)
湖南省教育科学规划课题(XJK012CXJ002)
