Logo: to the web site of Uppsala University

uu.sePublications from Uppsala University
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Thermo-elastic behavior of hexagonal Sc-Ti-Zr-Hf high-entropy alloys
China Univ Geosci, Fac Mat Sci & Chem, Wuhan 430074, Peoples R China..
China Univ Min & Technol Beijing, Sch Mech Elect & Informat Engn, Beijing 100083, Peoples R China..
China Acad Engn Phys, Inst Fluid Phys, Lab Shock Wave & Detonat Phys, Mianyang 621900, Sichuan, Peoples R China..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.ORCID iD: 0000-0003-1832-5850
Show others and affiliations
2022 (English)In: Journal of Physics D: Applied Physics, ISSN 0022-3727, E-ISSN 1361-6463, Vol. 55, no 23, article id 235302Article in journal (Refereed) Published
Abstract [en]

Recent advances in tuning the long-standing strength-ductility tradeoff have drawn attention to high-entropy alloys (HEAs), and the appearance of hexagonal close-packed (hcp) structures has been emphasized. However, few studies have explored the elastic moduli of hcp HEAs, which is of prime importance for improved understanding of the outstanding mechanical properties. In this work, we focus on a set of equiatomic rare-earth-free HEAs with hcp structures, i.e. ScTiZr, ScTiHf, ScZrHf, TiZrHf, and ScTiZrHf, and their thermo-elastic properties are studied using quantum mechanical first-principles methods. It is found that, for all considered HEAs, the hexagonal axial ratio shows a weak dependence on the temperature effect, and the thermal expansion coefficient remains almost unchanged above room temperature. From the calculated temperature-dependent single-crystal elastic constants, we analyzed the mechanical stability, elastic anisotropy, and derived polycrystalline moduli. Results indicate that the present HEAs exhibit rather high elastic isotropy and large elastic softening resistance. The ab initio predicted Young's modulus, shear modulus, and specific modulus do not obey the rule of mixture, which indicates that there exists a strong intrinsic hardening effect in all of the considered HEAs. The calculated results are in good agreement with the available experimental measurements.

Place, publisher, year, edition, pages
IOP Publishing Institute of Physics (IOP), 2022. Vol. 55, no 23, article id 235302
Keywords [en]
high-entropy alloys, hexagonal crystals, elastic constants, thermal expansion, ab-initio calculations
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-470566DOI: 10.1088/1361-6463/ac50ceISI: 000767558500001OAI: oai:DiVA.org:uu-470566DiVA, id: diva2:1647703
Funder
Swedish Foundation for Strategic Research Swedish Research CouncilVinnova, 2019-05111Available from: 2022-03-28 Created: 2022-03-28 Last updated: 2024-12-03Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full text

Authority records

Li, WeiVitos, Levente

Search in DiVA

By author/editor
Li, WeiVitos, Levente
By organisation
Materials Theory
In the same journal
Journal of Physics D: Applied Physics
Condensed Matter Physics

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 25 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf