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dc.contributor.authorOu, Yizi
dc.contributor.authorJiang, Yong
dc.contributor.authorWang, Yiren
dc.contributor.authorLiu, Zhengqing
dc.contributor.authorLervik, Adrian
dc.contributor.authorHolmestad, Randi
dc.date.accessioned2022-03-29T11:38:11Z
dc.date.available2022-03-29T11:38:11Z
dc.date.created2021-07-07T10:46:39Z
dc.date.issued2021
dc.identifier.citationActa Materialia. 2021, 218 .en_US
dc.identifier.issn1359-6454
dc.identifier.urihttps://hdl.handle.net/11250/2988337
dc.description.abstractWe present a combined first-principles and scanning transmission electron microscopy (STEM) study of the η1/Al interfaces in an over-aged Al-Zn-Mg alloy. As one of the major η-MgZn2 precipitate types, η1 tends to form highly coherent interfaces with Al matrix, along with various solute segregation patterns on its interfacial layers. The interface phase diagram suggests either an Mg-rich or a Zn-rich interface, depending on the chemical potential range of Zn. Further segregation calculations, however, strongly suggest the STEM Z-contrast imaged interface to be a vacancy and solute co-stabilized Mg-rich structure that is favored at relatively low Zn chemical potentials. Based on our experimental and calculation results, the profound thermodynamics origin of the η1/Al interface and its intricate segregation behavior is clarified and described using a generalized structure model. The η1/Al interface structure and segregation at higher Zn chemical potentials are also predicted for future experimental validation.en_US
dc.language.isoengen_US
dc.publisherElsevieren_US
dc.relation.urihttps://www.sciencedirect.com/science/article/pii/S1359645421004626
dc.subjectTetthetsfunksjonal teorien_US
dc.subjectDensity functional theoryen_US
dc.subjectScanning transmisjonselektronmikroskopien_US
dc.subjectScanning transmission electron microscopyen_US
dc.subjectAluminiumforbindelseren_US
dc.subjectAluminum Compoundsen_US
dc.titleVacancy and solute co-segregated η1 interface in over-aged Al-Zn-Mg alloysen_US
dc.typeJournal articleen_US
dc.typePeer revieweden_US
dc.description.versionacceptedVersionen_US
dc.rights.holderThis article will not be available until 1 October 2023 due to publisher embargo - © 2022. This manuscript version is made available under the CC-BY-NC-ND 4.0 licenseen_US
dc.subject.nsiVDP::Kondenserte fasers fysikk: 436en_US
dc.subject.nsiVDP::Condensed matter physics: 436en_US
dc.source.pagenumber9en_US
dc.source.volume218en_US
dc.source.journalActa Materialiaen_US
dc.identifier.doi10.1016/j.actamat.2021.117082
dc.identifier.cristin1920631
dc.relation.projectNorges forskningsråd: 197405en_US
dc.relation.projectNorges forskningsråd: 247598en_US
cristin.ispublishedtrue
cristin.fulltextpostprint
cristin.qualitycode2


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