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
Mapping the magnetic transition temperatures for medium- and high-entropy alloys
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
Sandvik Coromant R&D, S-12680 Stockholm, Sweden..
Uppsala Univ, Div Mat Theory, Dept Phys & Astron, Box 516, SE-75120 Uppsala, Sweden.;Orebro Univ, Sch Sci & Technol, SE-70182 Orebro, Sweden..
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics. Uppsala Univ; Wigner Res Ctr Phys.
2018 (English)In: Intermetallics (Barking), ISSN 0966-9795, E-ISSN 1879-0216, Vol. 95, p. 80-84Article in journal (Refereed) Published
Abstract [en]

Tailorable magnetic state near room temperature is very promising for several technological, including magnetocaloric applications. Here using first-principle alloy theory, we determine the Curie temperature (T-C) of a number of equiatomic medium- and high-entropy alloys with solid solution phases. All calculations are performed at the computed lattice parameters, which are in line with the available experimental data. Theory predicts a large crystal structure dependence of T-C, which explains the experimental observations under specified conditions. The sensitivity of the magnetic state to the crystal lattice is reflected by the magnetic exchange interactions entering the Heisenberg Hamiltonian. The analysis of the effect of composition on T-C allows researchers to explore chemistry-dependent trends and design new multi-component alloys with pre-assigned magnetic properties.

Place, publisher, year, edition, pages
ELSEVIER SCI LTD , 2018. Vol. 95, p. 80-84
Keywords [en]
Curie temperature, High-entropy alloys, First-principle calculations, Monte-Carlo simulations
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-228144DOI: 10.1016/j.intermet.2018.01.016ISI: 000428975100010Scopus ID: 2-s2.0-85041415212OAI: oai:DiVA.org:kth-228144DiVA, id: diva2:1207003
Note

QC 20180518

Available from: 2018-05-18 Created: 2018-05-18 Last updated: 2018-06-01Bibliographically approved
In thesis
1. Quantum-Mechanical Modeling of High-Entropy Alloys
Open this publication in new window or tab >>Quantum-Mechanical Modeling of High-Entropy Alloys
2018 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

High-entropy alloys (HEAs) consisting of multi-principal elements open up a near-infinite compositional space for materials design. Extensive attention has been put on HEAs, and interesting structural, physical and chemical properties are being continuously revealed. Based on first-principle theory, here we focus on the fundamental characteristics of HEAs, as well as on the optimization and prediction of alternative alloy with promising technological applications.

The relative phase stability of different-types of HEAs is investigated from the minimum of structural energy, and the composition-, temperature-, and ordering-induced phase transformations are presented. The elastic properties are discussed through the single-crystal and polycrystalline elastic moduli by making use of a series of phenomenological models. The competition between full slip, twinning, and stacking fault in face-centered cubic HEAs is analyzed by studying the generalized stacking fault energy. The magnetic characteristics are provided through the Heisenberg Hamiltonian model in connection with Monte-Carlo simulation, and the Curie temperature of a large number of cubic HEAs is mapped out with the help of mean-filed approximation. The thermal expansion behavior is estimated by using the Debye-Grüneisen model.

This work provides some fundamental and pioneering theoretical points of view to understand the intrinsic physical mechanisms in HEAs, and reveals alternative opportunities for optimizing and designing properties of materials. The challenge of comprehending the observed complex behavior behind the multi-component nature of HEAs is great, on the other hand, the potential to enhance the underlying theoretical understanding is remarkable.

Place, publisher, year, edition, pages
KTH Royal Institute of Technology, 2018. p. 43
Series
TRITA-ITM-AVL ; 2018:35
National Category
Condensed Matter Physics
Research subject
Materials Science and Engineering
Identifiers
urn:nbn:se:kth:diva-229063 (URN)978-91-7729-765-9 (ISBN)
Public defence
2018-06-12, B2, Brinellvägen 23, Stockholm, 10:00 (English)
Opponent
Supervisors
Available from: 2018-06-01 Created: 2018-05-31 Last updated: 2018-06-01Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textScopus
By organisation
Applied Material Physics
In the same journal
Intermetallics (Barking)
Condensed Matter Physics

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 11 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