Mechanical properties of zirconium alloys and zirconium hydrides predicted from density functional perturbation theory
Author:
Affiliation:
1. Sandia National Laboratories
2. Albuquerque
3. USA
4. Department of Physics and Astronomy
5. University of Nevada Las Vegas
6. Las Vegas
Abstract
The elastic properties and mechanical stability of zirconium alloys and zirconium hydrides have been investigated within the framework of density functional perturbation theory. Results show that the lowest-energy Pn3̄m δ-ZrH1.5 phase is not mechanically stable.
Publisher
Royal Society of Chemistry (RSC)
Subject
Inorganic Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/DT/C5DT03403E
Reference62 articles.
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4. E. Zuzek , J. P.Abriata, A.San-Martin and F. D.Manchester, in Phase diagrams of binary hydrogen alloys, ed. F. D. Manchester, ASM International, Materials Park, OH, 2000
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