Stability of Cu-Precipitates in Al-Cu Alloys

Staab, Torsten E. M.; Folegati, Paola; Wolfertz, Iris; Puska, Martti J.

doi:10.3390/app8061003

Open AccessArticle

Stability of Cu-Precipitates in Al-Cu Alloys

by

Torsten E. M. Staab

^1,*,†

,

Paola Folegati

^2,†,

Iris Wolfertz

³ and

Martti J. Puska

⁴

¹

LCTM, Universität Würzburg, Röntgenring 11, D-97070 Würzburg, Germany

²

Politecnico Milano, Polo di Como, Via Anzani 42, I-22100 Como, Italy

³

HISKP, Universität Bonn, Nußallee 14-16, D-53115 Bonn, Germany

⁴

Department of Applied Physics, Aalto University, P.O. Box 11100, FI-00076 Aalto, Finland

^*

Author to whom correspondence should be addressed.

^†

These authors contributed equally to this work.

Appl. Sci. 2018, 8(6), 1003; https://doi.org/10.3390/app8061003

Submission received: 30 May 2018 / Revised: 9 June 2018 / Accepted: 9 June 2018 / Published: 20 June 2018

(This article belongs to the Special Issue Mechanical Behaviour of Aluminium Alloys)

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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.

Keywords: aluminum copper alloys; Guinier-Preston zones; precipitates; ab initio calculations; DFT-LDA

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MDPI and ACS Style

Staab, T.E.M.; Folegati, P.; Wolfertz, I.; Puska, M.J. Stability of Cu-Precipitates in Al-Cu Alloys. Appl. Sci. 2018, 8, 1003. https://doi.org/10.3390/app8061003

AMA Style

Staab TEM, Folegati P, Wolfertz I, Puska MJ. Stability of Cu-Precipitates in Al-Cu Alloys. Applied Sciences. 2018; 8(6):1003. https://doi.org/10.3390/app8061003

Chicago/Turabian Style

Staab, Torsten E. M., Paola Folegati, Iris Wolfertz, and Martti J. Puska. 2018. "Stability of Cu-Precipitates in Al-Cu Alloys" Applied Sciences 8, no. 6: 1003. https://doi.org/10.3390/app8061003

APA Style

Staab, T. E. M., Folegati, P., Wolfertz, I., & Puska, M. J. (2018). Stability of Cu-Precipitates in Al-Cu Alloys. Applied Sciences, 8(6), 1003. https://doi.org/10.3390/app8061003

Note that from the first issue of 2016, this journal uses article numbers instead of page numbers. See further details here.

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Stability of Cu-Precipitates in Al-Cu Alloys

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