Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • 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
A first principles study of the stacking fault energies for fcc Co-based binary alloys
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. (Enheten egenskaper)
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. (Enheten strukturer)ORCID iD: 0000-0001-8797-4585
Show others and affiliations
2017 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 136, p. 215-223Article in journal (Refereed) Published
Abstract [en]

The stacking fault energy is closely related to structural phase transformations and can help to understand plastic deformation mechanisms in materials. Here we perform first principles calculations of the stacking fault energy in the face centered cubic (fcc) Cobalt-based binary alloys Co1−x Mx, where M = Cr, Fe, Ni, Mo, Ru, Rh, Pd and W. We investigate the concentration range between 0 and 30 at.% of the alloying element. The results are discussed in connection to the phase transition between the low-temperature hexagonal close packed (hcp) and the fcc structures observed in Co and its alloys. By analyzing the stacking fault energies, we show that alloying Co with Cr, Ru, and Rh promotes the hcp phase formation while Fe, Ni and Pd favor the fcc phase instead. The effect of Mo and W on the phase transition differs from the other elements, that is, for concentrations below 10% the intrinsic stacking fault energy is lower than that for pure fcc Co and the energy barrier is higher, whereas above 10% the situation reverses. We carry out also thermodynamic calculations using the ThermoCalc software. The trends of the ab initio stacking fault energy are found to agree well with those of the molar Gibbs energy differences and the phase transition temperature in the binary phase diagrams and give a solid support for the phase stability of these alloys.

Place, publisher, year, edition, pages
Acta Materialia Inc , 2017. Vol. 136, p. 215-223
Keywords [en]
Cobalt-based alloys, First principles calculations, Stacking fault energies, Thermodynamic calculations
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-212257DOI: 10.1016/j.actamat.2017.07.010ISI: 000407665300019Scopus ID: 2-s2.0-85021958438OAI: oai:DiVA.org:kth-212257DiVA, id: diva2:1134958
Funder
The Swedish Foundation for International Cooperation in Research and Higher Education (STINT)Swedish Foundation for Strategic Research Swedish Research CouncilVINNOVA, 2014-03374Carl Tryggers foundation Swedish National Infrastructure for Computing (SNIC)
Note

QC 20170822

Available from: 2017-08-22 Created: 2017-08-22 Last updated: 2017-09-12Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textScopus

Search in DiVA

By author/editor
Tian, LiyunLizárraga, RaquelLarsson, HenrikVitos, Levente
By organisation
Materials Science and Engineering
In the same journal
Acta Materialia
Materials Engineering

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 142 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • 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