Interfacial stability of θ′/Al in Al-Cu alloys

Kyoungdoc Kim, Bi Cheng Zhou, Christopher M Wolverton

Research output: Contribution to journalArticle

Abstract

Designing low-energy interface structures is crucial in growth and coarsening studies of Al2Cu (θ′) precipitates. Given new experimental insights into the θ′/Al system, we use Density Functional Theory (DFT) calculations to investigate the energetics of the coherent (001)θ′//(001)Al and semi-coherent (010)θ′//(010)Al interfaces. We find that the recently proposed occupancy of interstitial Cu atoms at the coherent interface by Bourgeois et al. increases interfacial energy, and hence, is likely due to kinetic effects. For the semi-coherent interface, the semi-coherent interfacial energy does not significantly depend on interfacial configurations or misfit strains up to 10-unit cells of Al.

LanguageEnglish (US)
Pages99-103
Number of pages5
JournalScripta Materialia
Volume159
DOIs
StatePublished - Jan 15 2019

Fingerprint

Interfacial energy
interfacial energy
Coarsening
Density functional theory
Precipitates
precipitates
Atoms
interstitials
Kinetics
density functional theory
kinetics
configurations
cells
atoms
energy

Keywords

  • Al-Cu
  • Aluminum alloys
  • First-principles calculation
  • Interfacial energy
  • θ′ precipitate

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Kim, Kyoungdoc ; Zhou, Bi Cheng ; Wolverton, Christopher M. / Interfacial stability of θ′/Al in Al-Cu alloys. In: Scripta Materialia. 2019 ; Vol. 159. pp. 99-103.
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Interfacial stability of θ′/Al in Al-Cu alloys. / Kim, Kyoungdoc; Zhou, Bi Cheng; Wolverton, Christopher M.

In: Scripta Materialia, Vol. 159, 15.01.2019, p. 99-103.

Research output: Contribution to journalArticle

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AU - Kim, Kyoungdoc

AU - Zhou, Bi Cheng

AU - Wolverton, Christopher M

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