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Electronic Structure of Planar Faults in Tial

Published online by Cambridge University Press:  26 February 2011

C. Woodward ,
J. M. Maclaren  and
S. Rao
C. Woodward
Affiliation:
Universal Energy Systems Inc. Dayton Ohio 45432.
J. M. Maclaren
Affiliation:
Systran Co., Dayton, Ohio 45432,
S. Rao
Affiliation:
NRC Research Associate, Wright Research and Development Center, MLLM, Wright-Patterson AFB, Ohio 45433–6533.
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Abstract

The mechanical behavior of intermetallic alloys is related to crystal bonding and the influence of bonding on the core structure of dislocations formed in these compounds. These combined effects influence the deformation behavior in an, as yet, undefined manner. However, in a way that gives rise to unusual behavior, such as the anomalous temperature dependence of flow stress observed in TiAl. Recent studies have suggested a particular relationship between the directional bonding in TiAl and dislocation mobility. To better understand the flow behavior of intermetallics, and as a beginning toward bridging the gap between electronic structure and flow behavior, we have calculated the electronic structure of various planar faults in TiAl. The self consistent electronic structure has been determined using the layered Korringa Kohn Rostoker (LKKR) method which embeds the region containing the defect between two semi-infinite perfect crystals. Calculated defect energies agree reasonably well with other theoretical estimates, though overestimating experimental values. The changes in bonding taking place in the vicinity of the planar defect will be discussed and illustrated through the density of states and charge density plots.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 213: Symposium Q – High-Temperature Ordered Intermetallic Alloys IV , 1990 , 715
Copyright
Copyright © Materials Research Society 1991

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References

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