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- Title
Stability of Cu-Precipitates in Al-Cu Alloys.
- Authors
Staab, Torsten E. M.; Folegati, Paola; Wolfertz, Iris; Puska, Martti J.
- Abstract
We present first principle calculations on formation and binding energies for Cu and Zn as solute atoms forming small clusters up to nine atoms in Al-Cu and Al-Zn alloys. We employ a density-functional approach implemented using projector-augmented waves and plane wave expansions. We find that some structures, in which Cu atoms are closely packed on {100}-planes, turn out to be extraordinary stable. We compare the results with existing numerical or experimental data when possible. We find that Cu atoms precipitating in the form of two-dimensional platelets on {100}-planes in the fcc aluminum are more stable than three-dimensional structures consisting of the same number of Cu-atoms. The preference turns out to be opposite for Zn in Al. Both observations are in agreement with experimental observations.
- Subjects
ALUMINUM-copper alloys; STABILITY (Mechanics); METAL formability
- Publication
Applied Sciences (2076-3417), 2018, Vol 8, Issue 6, p1003
- ISSN
2076-3417
- Publication type
Article
- DOI
10.3390/app8061003