Mechanical properties of zirconium alloys and zirconium hydrides predicted from density functional perturbation theory-Reference-Cited by-同舟云学术

Mechanical properties of zirconium alloys and zirconium hydrides predicted from density functional perturbation theory

Published:2015 Issue:43 Volume:44 Page:18769-18779
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Weck Philippe F.¹²³,Kim Eunja⁴⁵⁶³,Tikare Veena¹²³,Mitchell John A.¹²³

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-ZrH_1.5 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.

1. M. P. Puls , The Effect of Hydrogen and Hydrides on the Integrity of Zirconium Alloy Compounds Delayed Hydride Cracking, Springer, 2012

2. R. A. Knief , Nuclear Engineering: Theory and Technology Of Commercial Nuclear Power, American Nuclear Society, La Grange Park, Illinois, 1992

3. A. McMinn , E. C.Darby and J. S.Schofield, in Zirconium in the Nuclear Industry: Twelfth International Symposium, ASTM STP, ed. G. P. Sabol and G. D. Moan, Am. Soc. Test. Mater., West Conshohocken, PA, 2000, p. 173

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

Cited by 60 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Quantifying cracking and strain localisation in a cold spray chromium coating on a zirconium alloy substrate under tensile loading at room temperature;Journal of Nuclear Materials;2024-04

2. Theoretical investigation on solid solution effect in dilute Zr alloys: Insight into mechanical and thermal properties;Journal of Materials Research and Technology;2024-03

3. Morphology prediction of elastically interacting Zr hydride precipitates and cracks in α-Zr using atomistically informed Eshelby’s ellipsoidal inclusion;Computational Materials Science;2024-01

4. Methodology for numerical evaluation of fracture resistance under pinch loading of spent nuclear fuel cladding containing reoriented hydrides;Nuclear Engineering and Technology;2024-01

5. Transferability of Zr-Zr interatomic potentials;Journal of Nuclear Materials;2023-10