Site occupancy of alloying elements and their effects on the D0(3) phase stability in Fe3Al

Authors
Cai, J Liu, SJ Lou, Y Ma, BK Duan, SQ
Citation
J. Cai et al., Site occupancy of alloying elements and their effects on the D0(3) phase stability in Fe3Al, J MAT SCI T, 15(4), 1999, pp. 339-341
Citations number
17
Categorie Soggetti
Material Science & Engineering
Journal title
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
ISSN journal
10050302 → ACNP
Volume
15
Issue
4
Year of publication
1999
Pages
339 - 341
Database
ISI
SICI code
1005-0302(199907)15:4<339:SOOAEA>2.0.ZU;2-O
Abstract
The effects of ternary solutes Ti, Co, V, Cr, Ta, W and Mo on the D0(3) pha se stability of Fe3Al intermetallics are investigated by tight-binding line ar Muffin-tin orbital method. The predicted site preferences of these eleme nts in Fe3Al are in agreement with the experimental observations. The calcu lated local magnetic moment of Fe3Al is identical to the experimental. In a ddition, it is found that the D0(3) phase stability of Fe3Al doped with Ti, V, Co and Cr depends on 'energy gap' of energy band near Fermi level, whil e the D0(3) phase stability of Fe3Al doped with Ta, W and Mo may be affecte d by Madelung energy.