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Ab Initio Predicted Alloying Effects on the Elastic Properties of AlxHf1-xNbTaTiZr High Entropy Alloys
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics. Univ Sci & Technol Beijing, Peoples R China.
2015 (English)In: Coatings, ISSN 2079-6412, Vol. 5, no 3, 366-377 p.Article in journal (Refereed) PublishedText
Abstract [en]

Using ab initio alloy theory, we investigate the equilibrium bulk properties and elastic mechanics of the single bcc solid-solution AlxHf1-xNbTaTiZr (x = 0-0.7, 1.0) high entropy alloys. Ab initio predicted equilibrium volume is consistent with the available experiment. We make a detailed investigation of the alloying effect of Al and Hf on the equilibrium volume, elastic constants and polycrystalline elastic moduli. Results imply that the partial replacement Hf with Al increases the stability of the bcc phase and decreases the ductility of the AlxHf1-xNbTaTiZr HEAs. The inner ductility of Al0.4Hf0.6NbTaTiZr is predicted by the calculations of ideal tensile strength.

Place, publisher, year, edition, pages
MDPI AG , 2015. Vol. 5, no 3, 366-377 p.
Keyword [en]
high-entropy alloys, ab initio, alloying effect, equilibrium bulk properties, elastic anisotropy, ideal tensile strength
National Category
Materials Engineering
URN: urn:nbn:se:kth:diva-189406DOI: 10.3390/coatings5030366ISI: 000377252600010OAI: diva2:947307

QC 20160707

Available from: 2016-07-07 Created: 2016-07-04 Last updated: 2016-07-07Bibliographically approved

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Tian, Fuyang
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