Change search
ReferencesLink to record
Permanent link

Direct link
Ab initio-predicted micro-mechanical performance of refractory high-entropy alloys
Show others and affiliations
2015 (English)In: Scientific Reports, ISSN 2045-2322, Vol. 5, 12334Article in journal (Refereed) Published
Abstract [en]

Recently developed high-entropy alloys (HEAs) consisting of multiple principal elements represent a new field of metallurgy and have demonstrated appealing properties for a wide range of applications. Using ab initio alloy theory, we reveal the alloying effect on the elastic properties and the ideal tensile strength (ITS) in the [001] direction of four body-centered cubic (bcc) refractory HEAs based on Zr, V, Ti, Nb, and Hf. We find that these HEAs show high elastic anisotropy and large positive Cauchy pressure, suggesting good extrinsic ductility. Starting from ZrNbHf, it is found that the ITS decreases with equimolar Ti addition. On the other hand, if both Ti and V are added to ZrNbHf, the ITS is enhanced by about 42%. An even more captivating effect is the ITS increase by about 170%, if Ti and V are substituted for Hf. The alloying effect on the ITS is explained by the d-band filling. An intrinsic brittle-to-ductile transition is found in terms of the failure mode under uniaxial tension. These investigations suggest that intrinsically ductile HEAs with high ideal strength can be achieved by controlling the proportion of group four elements to group five elements.

Place, publisher, year, edition, pages
2015. Vol. 5, 12334
National Category
Physical Sciences
URN: urn:nbn:se:uu:diva-260621DOI: 10.1038/srep12334ISI: 000358305700001PubMedID: 26199145OAI: diva2:848108
Swedish Research CouncilSwedish Foundation for Strategic Research

Funding: Hungarian Scientific Research Fund OTKA 84078 109570, National Natural Science Foundation of China (NSFC) 51401014, fundamental research funds for the Central Universities FRF-TP-14-029A1, National 973 Project of China 2011CB606401 

Available from: 2015-08-24 Created: 2015-08-21 Last updated: 2015-08-24Bibliographically approved

Open Access in DiVA

fulltext(486 kB)339 downloads
File information
File name FULLTEXT01.pdfFile size 486 kBChecksum SHA-512
Type fulltextMimetype application/pdf

Other links

Publisher's full textPubMed

Search in DiVA

By author/editor
Vitos, Levente
By organisation
Materials Theory
In the same journal
Scientific Reports
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar
Total: 339 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 521 hits
ReferencesLink to record
Permanent link

Direct link