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Effects of Angular Dependent Terms in the Interatomic Potential on Defect Properties in TiAl

Published online by Cambridge University Press:  22 February 2011

Julia Panova  and
Diana Farkas
Julia Panova
Affiliation:
Department of Materials Science and Engineering, Virginia Polytechnic Institute, Blacksburg, Va 24060.
Diana Farkas
Affiliation:
Department of Materials Science and Engineering, Virginia Polytechnic Institute, Blacksburg, Va 24060.
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Abstract

Interatomic potentials of the Embedded Atom and Embedded Defect types were used to study the effect of the angular dependent term in the Embedded Defect potential on the properties of defects in TiAl. The defect properties were computed with interatomic potentials developed with and without angular dependent terms. It was found that the inclusion of the angular dependent terms tends to increase the energies of the APB’s and lower the energies of stacking faults. The effects of the angular term on the relaxation around vacancies and antisites in TiAl was also studied, as well as the core structure of several dislocations in this compound.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 364: Symposium L – High-Temperature Ordered Intermetallic Alloys–VI , 1994 , 151
Copyright
Copyright © Materials Research Society 1995

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References

1. Rao, A., Woodward, C., and Parthasarathy, T., Empirical interatomic potentials for L1∘ TiAl and B2 NiAl, in Materials Research Society Symposium Proceedings, volume 213, pages 125–130, Materials Research Society, 1991.Google Scholar
2. Farkas, D., Modelling and Simulation in Materials Science and Engineering 2, 975 (1994).Google Scholar
3. Pasianot, R., Farkas, D., and Savino, E., Physical Review B 43, 6952 (1991).Google Scholar
4. Pasianot, R. and Savino, E., Physical Review B 45, 12704 (1992).Google Scholar
5. Voter, A. and Chen, S., Accurate interatomic potentials for Ni, Al and Ni3Al, in Materials Research Society Symposium Proceedings, volume 82, pages 175–180,1987.Google Scholar
6. Igarashi, M., Khantha, M., and Vítek, V., Philisophical Magazine B 63, 603 (1991).Google Scholar
7. Hultgren, R., Desai, P. D., Hawkins, D. T., Gleiser, M., and Kelly, K. K., Selected Values of Thermodynamic Properties of Binary Alloys, ASM, Metals Park, OH, 1973.Google Scholar
8. Yoo, M. and Fu, C., ISIJ International. 31, 1049 (1991).Google Scholar
9. Whang, S. and Hahn, Y., in High Temperature Aluminides and Intermetallics, edited by Whang, S., Liu, C., Pope, D., and Stiegler, J., page 91, TMS, Warrendale, PA 15086, 1990.Google Scholar
10. Woodward, C., Maclaren, J., and Rao, S., Electronic structure of planar faults in TiAl, in Materials Research Society Symposium Proceedings, volume 213, pages 715–720, Materials Research Society, 1991.Google Scholar
11. Hug, G., Loiseau, A., and Veyssière, P., Philosophical Magazine A 57, 499 (1988).Google Scholar
12. Farenc, S. and Couret, A., in Materials Research Society Symposium Proceedings, volume 288, page 465, 1993.Google Scholar
13. Hug, G., Loiseau, A., and Lasalmonie, A., Philosophical Magazine A 54, 47 (1986).Google Scholar
14. Hemker, K., Viguier, B., and Mills, M., Materials Science and Engineering A 164, 391 (1993).Google Scholar
15. Simmons, J., Rao, S., and Dimiduk, D., in Materials Research Society Symposium Proceedings, volume 288, page 355, 1993.Google Scholar
16. Kawabata, T. and Izumi, O., in High Temperature Aluminides and Intermetallics, edited by Whang, S., Liu, C., Pope, D., and Stiegler, J., page 403, TMS, Warrendale, PA 15086, 1990.Google Scholar
17. Indenbaum, V., Grinberg, B., Gornostyrev, Y., and Kar’kina, L., Physics of Metals and Metallography 59, 52 (1985).Google Scholar
18. Greenberg, B. et al., Acta Melallurgica et Materialia 39, 233 (1991).Google Scholar