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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.

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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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