Daniel Marchand^1*, Curtin William^1*

1 LAMMM Laboratory for Multiscale Mechanics Modeling, École Polytechnique Fédérale de Lausanne, CH-1015, Vaud, Switzerland

* Corresponding authors emails: daniel.marchand@epfl.ch, william.curtin@epfl.ch

DOI10.24435/materialscloud:2k-cy [version v1]

Publication date: Dec 21, 2021

How to cite this record

Daniel Marchand, Curtin William, DFT data for giant hardening response in AlMgZn(Cu) alloys, Materials Cloud Archive 2021.227 (2021), https://doi.org/10.24435/materialscloud:2k-cy

Description

AiiDA calculations for the publication Giant hardening response in AlMgZn(Cu) alloys. This study presents a thermomechanical processing concept which is capable of exploiting the full indus- trial application potential of recently introduced AlMgZn(Cu) alloys. The beneficial linkage of alloy design and processing allows not only to satisfy the long-standing trade-off between high mechanical strength in use and good formability during processing but also addresses the need for economically feasible processing times. After an only 3-hour short pre-aging treatment at 100 °C, the two investigated alloys, based on commercial EN AW-5182 and modified with additions of Zn and Zn + Cu respectively, show high formability due to increased work-hardening. Then, these alloys exhibit a giant hardening response of up to 184 MPa to reach a yield strength of 410 MPa after a 20-minute short final heat treatment at 185 °C, i.e. paint-baking. This rapid hardening response strongly depends on the number density, size distribution and constitution of precursors acting as preferential nucleation sites for T-phase precursor precipitation during the final high-temperature aging treatment and is significantly increased by the addition of Cu. Minor deformation (2%) after pre-aging and before final heat treatment further enhances the development of hardening precipitates additionally by activating dislocation-supported nucleation and growth. Tensile testing, quantitative and analytical electron-microscopy methods, atom probe analysis and DFT calculations were used to characterize the alloys investigated in this work over the thermomechanical processing route. The influence of pre-strain on the hardening response and the role of Cu additions in early-stage cluster nucleation are discussed in detail and supported by in-situ STEM experiments and first-principles calculations.

Materials Cloud sections using this data

Files

File name	Size	Description
Tphase-antisite_relax.aiida MD5md5:acc7ec8fe979dfd83e716a491eabb5ca Open this AiiDA archive on renkulab.io (https://renkulab.io/)	135.1 MiB	AiiDA Group Dump Tphase antisite calculations
Tphase_vc-relax.aiida MD5md5:38ff559cf6a9bb7511689e33ca473083 Open this AiiDA archive on renkulab.io (https://renkulab.io/)	130.2 MiB	AiiDA Group Dumps for Tphase calculations
Triplet_relax.aiida MD5md5:680d26491d5f67e26fcbae59956ffb63 Open this AiiDA archive on renkulab.io (https://renkulab.io/)	301.3 MiB	AiiDA Group Dump Solute-Triplet calculations
etaPrime_relax.aiida MD5md5:0b9ae9808129f4d3282c60cdcd83729c Open this AiiDA archive on renkulab.io (https://renkulab.io/)	615.8 MiB	AiiDA Group Dump Eta-Prime calculations
README.txt MD5md5:09110ac97d716971c607c204542c9999	204 Bytes	Readme file

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

External references

Keywords

Aluminum Metallurgy MARVEL/DD2