uu.seUppsala University Publications
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
Elastic properties of AlxCrMnFeCoNi (0 <= x <= 5) high-entropy alloys from ab initio theory
Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Frontier Inst Sci & Technol, Ctr Microstruct Sci, Xian 710049, Shaanxi, Peoples R China.
Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Frontier Inst Sci & Technol, Ctr Microstruct Sci, Xian 710049, Shaanxi, Peoples R China;Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.ORCID iD: 0000-0002-6504-5045
Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.ORCID iD: 0000-0001-6482-1404
Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
Show others and affiliations
2018 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 155, p. 12-22Article in journal (Refereed) Published
Abstract [en]

Using ab initio calculations, we investigate the elastic properties of paramagnetic AlxCrMnFeCoNi (0 <= x <= 5) high -entropy alloys (HEAs) in both body-centered cubic (bcc) and face-centered cubic (fcc) structures. Comparison with available experimental data demonstrates that the employed approach describes accurately the elastic moduli. The predicted lattice constants increase monotonously with Al addition, whereas the elastic parameters exhibit complex composition dependences. The elastic anisotropy is unusually high for both phases. The brittle/ductile transitions formulated in terms of Cauchy pressure and Pugh ratio become consistent only when the strong elastic anisotropy is accounted for. The negative Cauchy pressure of CrMnFeCoNi is due to the relatively low bulk modulus and C-12 elastic constant, which in turn are consistent with the relatively low cohesive energy. The present findings in combination with the experimental data suggest anomalous metallic character for the HEAs system. (C) 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Place, publisher, year, edition, pages
PERGAMON-ELSEVIER SCIENCE LTD , 2018. Vol. 155, p. 12-22
Keywords [en]
High-entropy alloys, Elastic anisotropy, Brittle/ductile transition, Pugh criterion, First-principles calculation
National Category
Materials Chemistry Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-387264DOI: 10.1016/j.actamat.2018.05.050ISI: 000439675000002OAI: oai:DiVA.org:uu-387264DiVA, id: diva2:1328313
Funder
Swedish Research CouncilSwedish Foundation for Strategic Research Swedish Energy AgencyVinnovaAvailable from: 2019-06-20 Created: 2019-06-20 Last updated: 2019-06-20Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full text

Authority records BETA

Vitos, Levente

Search in DiVA

By author/editor
Sun, XunLu, SongDing, XiangdongVitos, Levente
By organisation
Materials Theory
In the same journal
Acta Materialia
Materials ChemistryCondensed Matter Physics

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
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