Please use this identifier to cite or link to this item: http://bura.brunel.ac.uk/handle/2438/29569
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dc.contributor.authorFang, C-
dc.contributor.authorQue, Z-
dc.contributor.authorFan, Z-
dc.date.accessioned2024-08-19T08:52:20Z-
dc.date.available2024-08-19T08:52:20Z-
dc.date.issued2024-09-05-
dc.identifierORCiD: Changming Fang https://orcid.org/0000-0003-0915-7453-
dc.identifierORCiD: Zhongping Que https://orcid.org/0000-0002-5065-100X-
dc.identifierORCiD: Zhongyun Fan https://orcid.org/0000-0003-4079-7336-
dc.identifier.citationFang, C., Que, Z. and Fan, Z. (2024) 'Effects of Si Solution on Stability of Early 3d Transition-Metal Tri-Aluminides, Al3T (T = Sc, Ti and V)', Journal of Metals, 0 (ahead of print), pp. 1 - 12. doi: 10.1007/s11837-024-06834-6.en_US
dc.identifier.issn1047-4838-
dc.identifier.urihttps://bura.brunel.ac.uk/handle/2438/29569-
dc.description.abstractAddition of the early 3d transition metals results in formation of primary Al3T (T = Sc, Ti and V) phases in Al alloys during casting. The newly formed Al3T particles not only improve the mechanical performance of the products but also act as grain-refiners in the solidification processes. Meanwhile, experiments found impacts of impurities, such as Si, on the formation of the Al3T phases; the mechanism is not fully understood. We here investigate effects of Si solution on the stability and crystal chemistry of the Al3T phases using first-principles density-functional theory. The study has revealed a rich variety of effects of Si solution on the Al3T phases. Si solution stabilizes the D022-Al3Ti structure so that it becomes the ground state, taking over the binary D023 phase. Si solution in D022-V occurs only at elevated temperature. Si solution has little impact on the Al3Sc phase relationship. The obtained information helps characterize the (Al, Si)3 T particles in Al products, understand their role in solidification and further design new Al alloys of desirable properties.en_US
dc.description.sponsorshipEngineering and Physical Sciences Research Council, EP/V011804/1, Zhongyun Fan, EP/S005102/1, Zhongyun Fan.en_US
dc.format.extent1 - 12-
dc.format.mediumPrint-Electronic-
dc.languageEnglish-
dc.language.isoen_USen_US
dc.publisherSpringer Natureen_US
dc.rightsAttribution 4.0 International-
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/-
dc.subjectaluminiumen_US
dc.subjectSi solutionen_US
dc.subjecttransition metal tri-aluminitesen_US
dc.subjectphase relationsen_US
dc.subjectdensity functional theoryen_US
dc.titleEffects of Si Solution on Stability of Early 3d Transition-Metal Tri-Aluminides, Al3T (T = Sc, Ti and V)en_US
dc.typeArticleen_US
dc.identifier.doihttps://doi.org/10.1007/s11837-024-06834-6-
dc.relation.isPartOfJournal of Metals-
pubs.issue00-
pubs.publication-statusPublished onlline-
pubs.volume0-
dc.identifier.eissn1543-1851-
dc.rights.licensehttps://creativecommons.org/licenses/by/4.0/legalcode.en-
dc.rights.holderThe Author(s)-
Appears in Collections:Brunel Centre for Advanced Solidification Technology (BCAST)

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