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
Effective cluster interactions and pre–precipitate morphology in binary Al-based alloys
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science. Department of Materials Science and Engineering, KTH Royal Institute of Technology, Stockholm, Sweden. Laboratory for Mechanics of Gradient Nanomaterials, Nosov Magnitogorsk State Technical University, Magnitogorsk, Russia.
National Research Centre, Kurchatov Institute, Moscow, Russia. Moscow Institute of Physics and Technology (State University), Dolgoprudny, Moscow Region, Russia.
Institute of Metal Physics, Ural Division RAS, Ekaterinburg, Russia. Institute of Quantum Materials Science, Ekaterinburg, Russia.
Department of Materials Science and Engineering, KTH Royal Institute of Technology, Stockholm, Sweden. Institute of Metal Physics, Ural Division RAS, Ekaterinburg, Russia.
2019 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 179, p. 70-84Article in journal (Refereed) Published
Abstract [en]

The strengthening by coherent, nano-sized particles of metastable phases (pre-precipitates) continues to be the main design principle for new high-performance aluminium alloys. To describe the formation of such pre-precipitates in Al–Cu, Al–Mg, Al–Zn, and Al–Si alloys, we carry out cluster expansions of ab initio calculated energies for supercell models of the dilute binary Al-rich solid solutions. Effective cluster interactions, including many-body terms and strain-induced contributions due to the lattice relaxations around solute atoms, are thus systematically derived. Monte Carlo and statistical kinetic theory simulations, parameterized with the obtained effective cluster interactions, are then performed to study the early stages of decomposition in the binary Al-based solid solutions. We show that this systematic approach to multi-scale modelling is capable of incorporating the essential physical contributions (usually referred to as atomic size and electronic structure factors) to the free energy, and is therefore able to correctly describe the ordering temperatures, atomic structures, and morphologies of pre-precipitates in the four studied alloy systems.

Place, publisher, year, edition, pages
Elsevier, 2019. Vol. 179, p. 70-84
Keywords [en]
Aluminium-based alloys, Guinier-Preston zones, Ab initio based modeling
National Category
Other Physics Topics
Research subject
Applied Physics
Identifiers
URN: urn:nbn:se:ltu:diva-75632DOI: 10.1016/j.actamat.2019.08.011Scopus ID: 2-s2.0-85070954777OAI: oai:DiVA.org:ltu-75632DiVA, id: diva2:1344553
Note

Validerad;2019;Nivå 2;2019-09-03 (johcin)

Available from: 2019-08-21 Created: 2019-08-21 Last updated: 2019-09-03Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textScopus

Authority records BETA

Gorbatov, Oleg

Search in DiVA

By author/editor
Gorbatov, Oleg
By organisation
Material Science
In the same journal
Acta Materialia
Other Physics Topics

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