DFT Modelling of Cu Segregation in Al-Cu Alloys Covered by an Ultrathin Oxide Film and Possible Links with Passivity
We modelled with Density Functional Theory (DFT) an Al-Cu alloy covered with a passive film, with several Cu concentrations (from the limit of the isolated atom to the monolayer) at the interface with the oxide, as well as Guinier-Preston 1 (GP1) zones. At low (respectively high) concentration, Cu s...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2017-09-01
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| Series: | Metals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2075-4701/7/9/366 |