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
Ab initio determination of the elastic properties of ferromagnetic body-centered cubic Fe-Mn-Al alloys
Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, Ctr Microstruct Sci, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.;Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden..
Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden..
Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, Ctr Microstruct Sci, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China..
Univ Turku, Dept Phys & Astron, FI-20014 Turku, Finland..
Show others and affiliations
2015 (English)In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 118, no 10, article id 103904Article in journal (Refereed) Published
Abstract [en]

The elastic properties of ferromagnetic Fe1-x-yMnyAlx (0 <= x <= 0.5, y = 0, 0.1, and 0.2) random solid solutions in the body-centered cubic (bcc) crystallographic phase have been investigated using the ab initio exact muffin-tin orbitals method in combination with the coherent-potential approximation. Comparison with the experimental data demonstrates that the employed theoretical approach accurately captures the observed composition dependence of the lattice parameter. The predicted elastic parameters follow complex composition dependence. The C-11, C-12, and C' = (C-11 - C-12)/2 single-crystal elastic constants, the bulk (B), shear (G), and Young's (E) moduli, and the Cauchy pressure (C-12 - C-44) mainly decrease with increasing Al content, whereas the Zener anisotropy ratio (C-44/C') strongly increases with x. C-44 exhibits a non-linear x dependence. The Poisson (v) and Pugh (B/G) ratios first decrease with x but show non-monotonous behavior in high-Al alloys. In terms of the Pugh criterion, these trends suggest an increased brittleness in Al-containing alloys. Manganese has a complex non-monotonous effect on B/G in low-Al alloys (below similar to 15 at. % Al) but enhances the brittleness of the bcc solid solution in large-Al regime. The peculiar Mn alloying effect is explained in terms of magneto-volume mechanisms.

Place, publisher, year, edition, pages
2015. Vol. 118, no 10, article id 103904
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-264846DOI: 10.1063/1.4930162ISI: 000361636900019OAI: oai:DiVA.org:uu-264846DiVA, id: diva2:861750
Funder
Swedish Research CouncilSwedish Foundation for Strategic Research EU, European Research CouncilAvailable from: 2015-10-19 Created: 2015-10-19 Last updated: 2017-12-01Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full text

Authority records

Johansson, BorjeVitos, Levente

Search in DiVA

By author/editor
Johansson, BorjeVitos, Levente
By organisation
Materials Theory
In the same journal
Journal of Applied Physics
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 821 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