Hostname: page-component-76dd75c94c-lntk7 Total loading time: 0 Render date: 2024-04-30T07:12:49.354Z Has data issue: false hasContentIssue false
  • English
  • Français

First-Principles Studies of γ-Tial Based Ternary Alloys

Published online by Cambridge University Press:  22 February 2011

W. Wolf ,
R. Podloucky  and
P. Rogl
W. Wolf
Affiliation:
Institute for Physical Chemistry of the University of Vienna, Waehringerstrasse 42, A-1090 Vienna, Austria
R. Podloucky
Affiliation:
Institute for Physical Chemistry of the University of Vienna, Waehringerstrasse 42, A-1090 Vienna, Austria
P. Rogl
Affiliation:
Institute for Physical Chemistry of the University of Vienna, Waehringerstrasse 42, A-1090 Vienna, Austria
Get access

Abstract

Self-consistent total energy calculations were performed to investigate the effects of ternary additions of 3d, 4d and 5d transition metal elements (V, Cr, Mn, Fe, Co, Ni, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Hf, Ta, W, Re, Os, Ir, Pt) to Ll0 ordered γ-TiAl. In general, we studied ordered solids of 4 atoms per unit cell. In the case of Mn additions larger supercells with up to 32 atoms were also treated. Minimizing the total energy with respect to volume and c/a ratio leads to the determination of lattice distortions due to alloying by the ternary elements. These distortions prove to be strongly dependent on whether the alloying element substitutes Al or Ti atoms. Furthermore, the site preference can be derived by comparing the formation energies of Tin-1XAln and TinXAln-i, where X is the substituting element. As a result the change of the geometry of L10 TiAl due to alloying can be estimated and may thereby give insight into the conditions at semicoherent γ/γ′ and α2/γ interfaces, which are associated to be responsible for ductility improvements of γ-TiAl based alloys.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 364: Symposium L – High-Temperature Ordered Intermetallic Alloys–VI , 1994 , 1005
Copyright
Copyright © Materials Research Society 1995

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Kim, Y-W., MRS Symp. Proc. 213, 777 (1991)Google Scholar
2. Kawabata, T., Tamura, T., Izumi, O., Met all. Trans. A 24, 141 (1993)Google Scholar
3. Andersen, O.K., Phys. Rev. B 12, 3060 (1975); H.L. Skriver, The LMTO Method, Springer Verlag, Heidelberg (1983).Google Scholar
4. Jansen, H.F.E. and Freeman, A.J., Phys. Rev. B 30, 561 (1984).Google Scholar
5. Hansen, M., Constitution of Binary Alloys, McGraw Hill, New York, (1958).Google Scholar
6. Bauer, J., Rogl, P., Perrin, A., Bohn, M., Wolf, W., Podloucky, R., LeFriec, Y., and Antoine, D., submitted to Intermetallics.Google Scholar
7. Erschbaumer, H., Podloucky, R., Rogl, P., Temnitschka, G., and Wagner, R., Intermetallics 1, 99–106 (1993)Google Scholar
8. Vujic, D., Li, Z., and Wang, S.H., Metall. Trans. A 19, 2445 (1988).Google Scholar
9. Hashimoto, K., Doi, H., Kasahara, K., Tsujimoto, T., Suzuki, T., Japan. Inst. Metals, 52, 816 (1988)Google Scholar
10. Mohandas, E. and Beaven, P.A., Scripta Metall. and Mater. 25, 2023 (1991).Google Scholar
11. Huang, S.C., Hall, E.L., Metall. Trans. A 22, 2619 (1991)Google Scholar
12. Jinlong, Y., Chuanyun, X., Shangda, X., Kelin, W., Phys. Rev. B 46, 13709 (1992)Google Scholar
13. Khowash, P.K., Price, D.L., Cooper, B.R., Phys. Rev. B 47, 9884 (1993)Google Scholar