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
Elastic properties of paramagnetic austenitic steel at finite temperature: Longitudinal spin fluctuations in multicomponent 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, Applied Material Physics.ORCID iD: 0000-0001-9317-6205
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
Show others and affiliations
2017 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 96, no 17, article id 174415Article in journal (Refereed) Published
Abstract [en]

We propose a first-principles framework for longitudinal spin fluctuations (LSFs) in disordered paramagnetic (PM) multicomponent alloy systems and apply it to investigate the influence of LSFs on the temperature dependence of two elastic constants of PM austenitic stainless steel Fe15Cr15Ni. The magnetic model considers individual fluctuating moments in a static PM medium with first-principles-derived LSF energetics in conjunction with describing chemical disorder and randomness of the transverse magnetic component in the single-site alloy formalism and disordered local moment (DLM) picture. A temperature-sensitive mean magnetic moment is adopted to accurately represent the LSF state in the elastic-constant calculations. We make evident that magnetic interactions between an LSF impurity and the PM medium are weak in the present steel alloy. This allows gaining accurate LSF energetics and mean magnetic moments already through a perturbation from the static DLM moments instead of a tedious self-consistent procedure. We find that LSFs systematically lower the cubic shear elastic constants c' and c(44) by similar to 6 GPa in the temperature interval 300-1600 K, whereas the predominant mechanism for the softening of both elastic constants with temperature is the magneto-volume coupling due to thermal lattice expansion. We find that non-negligible local magnetic moments of Cr and Ni are thermally induced by LSFs, but they exert only a small influence on the elastic properties. The proposed framework exhibits high flexibility in accurately accounting for finite-temperature magnetism and its impact on the mechanical properties of PM multicomponent alloys.

Place, publisher, year, edition, pages
American Physical Society, 2017. Vol. 96, no 17, article id 174415
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-218210DOI: 10.1103/PhysRevB.96.174415ISI: 000414953200003OAI: oai:DiVA.org:kth-218210DiVA, id: diva2:1160884
Note

QC 20171128

Available from: 2017-11-28 Created: 2017-11-28 Last updated: 2018-03-12Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full text

Authority records BETA

Schönecker, StephanVitos, Levente

Search in DiVA

By author/editor
Dong, ZhihuaSchönecker, StephanLi, WeiVitos, Levente
By organisation
Materials Science and EngineeringApplied Material Physics
In the same journal
Physical Review B
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 14 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