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Understanding The Nb-Ti-A1 System: First Principles Calculations

Published online by Cambridge University Press:  22 February 2011

Michael J. Mehl
Michael J. Mehl*
Affiliation:
Complex Systems Theory Branch, Naval Research Laboratory, Washington, DC 20375-5345
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Abstract

The discovery of ductile cubic phases in the Nb-Ti-Al system has led to increased study of these high-temperature intermetallics. I have performed first-principles calculations for ordered crystal structures in this system, paying particular attention to the Nb7Ti7Al2 structure. Somewhat surprisingly, the electronic density of states, lattice constant, and bulk modulus are nearly independent of the ordering of these materials, even though the changes in the total energy are significant.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 364: Symposium L – High-Temperature Ordered Intermetallic Alloys–VI , 1994 , 1265
Copyright
Copyright © Materials Research Society 1995

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