Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1620889 | Journal of Alloys and Compounds | 2010 | 5 Pages |
Abstract
Martensitic transformation, phase stability and electronic structure of Al-doped ZrCu intermetallics were investigated by experiments and first-principles calculations using the pseudopotentials plane wave method. The formation energy calculations indicate that the stability of the ZrCu phase increases with the increasing Al content. Al plays a decisive role in controlling the formation and microstructures of the martensite phases in Zr–Cu–Al alloys. The total energy difference between ZrCu (B2) austenite and ZrCu martensite plays an important role in the martensitic transformation. The phase stability is dependent on its electronic structure. The densities of states (DOS) of the intermetallics were discussed in detail.
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Feng Qiu, Ping Shen, Tao Liu, Qiaoli Lin, Qichuan Jiang,