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Abstract:
The site occupancy dependence of 12 transition metal elements on Ti/Al ratio and temperature usually used for the alloying of L10-TiAl were studied by thermodynamic model and first-principles calculation using a general three sublattice model. Ti and Al in the alloy with 2%(atom fraction) alloying elements had very strong site preferences in the range of Ti/Al ratio from 0.6 to 1.4. The transition metals could be classified into two groups when the Ti/Al ratio changed from 0.6 to 1.4 at 1173 K. The site occupancies of V, Ta, Mo, Mn, Cr, Zn and W changed from Ti sublattice to Al sublattice around Ti/Al=1 and the site occupancies of Zr, Nb, Tc, Co and Ag did not change a lot. The transition metals could also be fall into two groups when the temperature changed from 200 K to 2000 K in Ti0.49Al0.49M0.02 with Ti/Al=1. The site occupancies of V, Ta, Mo, Tc, Co, Mn, Cr, Zn and W changed from disorder to obvious site preferences, and the site occupancies of Zr, Nb and Ag did not change much. In contrast, the Ti/Al ratio had more effect than the temperature on the site occupancies of transition metals in L10-TiAl. The present predictions agreed well with the previous reports from both experimental and theoretical studies in the literature.
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Chinese Journal of Rare Metals
ISSN: 0258-7076
CN: 11-2111/TF
Year: 2011
Issue: 5
Volume: 35
Page: 644-651
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ESI Highly Cited Papers on the List: 0 Unfold All
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30 Days PV: 0
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