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Energetics and Structural Effects of Boron Additive to Intermetallic Compound: γ-Tial

Published online by Cambridge University Press:  26 February 2011

P.K. Khowash ,
D.L. Price  and
B.R. Cooper
P.K. Khowash
Affiliation:
West Virginia University, Dept. of Physics, Morgantown, West Virginia 26506
D.L. Price
Affiliation:
Memphis State University, Dept. of Physics, Memphis, Tennessee 38152
B.R. Cooper
Affiliation:
West Virginia University, Dept. of Physics, Morgantown, West Virginia 26506
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Abstract

Improving the low temperature ductility of the intermetallic compound γ - TiAl by alloying with small concentrations of an additive is of great practical importance. The difference in site selection energy of the additive plays an important role in the stability and behavior of the alloy. For boron in L10 TiAl, we have calculated the site selection energy using linearized combination of muffin-tin orbitals (LMTO) total energy calculations. For pure γ - TiAl, we found the equilibrium lattice structure by minimizing the total energy, and obtained good agreement with the experimental values. With the introduction of boron, a relaxation of the lattice around the boron additive is expected. For boron additives, we have calculated the forces on each atom leading to the minimization of the total energy as a function of the ionic positions in order to obtain the “true” stable structure of the alloy.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 213: Symposium Q – High-Temperature Ordered Intermetallic Alloys IV , 1990 , 31
Copyright
Copyright © Materials Research Society 1991

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References

REFERENCES

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