Stability of Cu-precipitates in Al-Cu alloys
| dc.contributor | Aalto-yliopisto | fi |
| dc.contributor | Aalto University | en |
| dc.contributor.author | Staab, Torsten E.M. | |
| dc.contributor.author | Folegati, Paola | |
| dc.contributor.author | Wolfertz, Iris | |
| dc.contributor.author | Puska, Martti J. | |
| dc.contributor.department | University of Würzburg | |
| dc.contributor.department | Polytechnic University of Milan | |
| dc.contributor.department | University of Bonn | |
| dc.contributor.department | Department of Applied Physics | |
| dc.date.accessioned | 2018-08-01T13:34:11Z | |
| dc.date.available | 2018-08-01T13:34:11Z | |
| dc.date.issued | 2018-06-20 | |
| dc.description.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. | en |
| dc.description.version | Peer reviewed | en |
| dc.format.extent | 1-13 | |
| dc.format.mimetype | application/pdf | |
| dc.identifier.citation | Staab , T E M , Folegati , P , Wolfertz , I & Puska , M J 2018 , ' Stability of Cu-precipitates in Al-Cu alloys ' , Applied Sciences (Switzerland) , vol. 8 , no. 6 , 1003 , pp. 1-13 . https://doi.org/10.3390/app8061003 | en |
| dc.identifier.doi | 10.3390/app8061003 | |
| dc.identifier.issn | 2076-3417 | |
| dc.identifier.other | PURE UUID: d0d7b91c-c8c7-4042-8902-a73ad2dc6b60 | |
| dc.identifier.other | PURE ITEMURL: https://research.aalto.fi/en/publications/d0d7b91c-c8c7-4042-8902-a73ad2dc6b60 | |
| dc.identifier.other | PURE LINK: http://www.scopus.com/inward/record.url?scp=85048937885&partnerID=8YFLogxK | |
| dc.identifier.other | PURE FILEURL: https://research.aalto.fi/files/26393365/applsci_08_01003.pdf | |
| dc.identifier.uri | https://aaltodoc.aalto.fi/handle/123456789/32910 | |
| dc.identifier.urn | URN:NBN:fi:aalto-201808014311 | |
| dc.language.iso | en | en |
| dc.relation.ispartofseries | Applied Sciences (Switzerland) | en |
| dc.relation.ispartofseries | Volume 8, issue 6 | en |
| dc.rights | openAccess | en |
| dc.subject.keyword | Ab initio calculations | |
| dc.subject.keyword | Aluminum copper alloys | |
| dc.subject.keyword | DFT-LDA | |
| dc.subject.keyword | Guinier-Preston zones | |
| dc.subject.keyword | Precipitates | |
| dc.title | Stability of Cu-precipitates in Al-Cu alloys | en |
| dc.type | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä | fi |
| dc.type.version | publishedVersion |
