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Point defect interactions with Guinier-Preston zones in Al-Cu based alloys: Vacancy mediated GPZ to θ′-phase transformation
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.ORCID iD: 0000-0002-9920-5393
2019 (English)In: Scripta Materialia, ISSN 1359-6462, E-ISSN 1872-8456, Vol. 165, p. 123-127Article in journal (Refereed) Published
Abstract [en]

The energetics of point defect interactions with a Guinier-Preston zone (GPZ) in Al alloys are systematically studied using ab initio calculations and a supercell approach. We find that vacancies can be trapped by GPZs and that the presence of a vacancy in a Cu layer qualitatively changes the solute–GPZ interactions. A vacancy mediated mechanism of GPZ to θ′-phase transformation is suggested and shown to be thermodynamically feasible, which involves the formation of structural vacancies and splitting of a GPZ layer into two half-vacant Cu layers. This mechanism, in combination with the calculated attractive solute-vacancy interactions, is predicted to result in the solute segregation at the interface between Al matrix and the forming θ′-phase precipitate.

Place, publisher, year, edition, pages
Acta Materialia Inc , 2019. Vol. 165, p. 123-127
Keywords [en]
Ab initio calculations, Aluminum alloys, Phase transformation, Point defects
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-246433DOI: 10.1016/j.scriptamat.2019.02.024ISI: 000463127300026Scopus ID: 2-s2.0-85061991263OAI: oai:DiVA.org:kth-246433DiVA, id: diva2:1300786
Note

QC 20190329

Available from: 2019-03-29 Created: 2019-03-29 Last updated: 2019-04-29Bibliographically approved

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Korzhavyi, Pavel A.

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