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Phase-transition assisted mechanical behavior of TiZrHfTax high-entropy alloys
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0001-7724-8299
Sandvik Coromant R&D, S-12680 Stockholm, Sweden..
KTH, School of Engineering Sciences (SCI), Applied Physics. Uppsala Univ, Dept Phys & Astron, Div Mat Theory, SE-75120 Uppsala, Sweden.;Inst Solid State Phys & Opt, Wigner Res Ctr Phys, H-1525 Budapest, Hungary..ORCID iD: 0000-0003-2832-3293
2018 (English)In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 8, article id 12576Article in journal (Refereed) Published
Abstract [en]

Recent developments of high-entropy alloys with high strength and high ductility draw attention to the metastability-engineering strategy. Using first-principle theory, here we demonstrate that reducing the Ta level in the refractory TiZrHfTax system destabilizes the body-centered cubic (bcc) phase and leads to the appearance of the hexagonal close-packed (hcp) phase embedded in the bcc matrix. The alloying-induced features of the elastic parameters for the cubic and hexagonal structures are mapped out in details, and strong sensitivity to the crystal lattice and chemistry is revealed. Results show softening of the bcc matrix with decreasing Ta concentration which ensures ductile behavior. However, the elastically nearly isotropic hcp precipitates possess enhanced resistance against shear which promotes strengthening of the TiZrHfTax dual-phase system. The present atomic-level insight provides strong evidence to the experimental observation, and emphasizes the significance of quantum-design for advanced multi-phase high-entropy alloys with excellent strength-ductility combinations.

Place, publisher, year, edition, pages
Nature Publishing Group, 2018. Vol. 8, article id 12576
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-235128DOI: 10.1038/s41598-018-30892-xISI: 000442388100004PubMedID: 30135487Scopus ID: 2-s2.0-85052153766OAI: oai:DiVA.org:kth-235128DiVA, id: diva2:1249448
Funder
Swedish Research CouncilSwedish Foundation for Strategic Research The Swedish Foundation for International Cooperation in Research and Higher Education (STINT)Carl Tryggers foundation VINNOVASwedish Energy Agency
Note

QC 20180919

Available from: 2018-09-19 Created: 2018-09-19 Last updated: 2020-01-30Bibliographically approved

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