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dc.contributor.authorKleiven, David
dc.contributor.authorØdegård, Olve Lyngved
dc.contributor.authorLaasonen, Kari
dc.contributor.authorAkola, Jaakko
dc.date.accessioned2020-10-19T13:41:50Z
dc.date.available2020-10-19T13:41:50Z
dc.date.created2019-05-09T15:16:43Z
dc.date.issued2019
dc.identifier.citationActa Materialia. 2019, 166 484-492.en_US
dc.identifier.issn1359-6454
dc.identifier.urihttps://hdl.handle.net/11250/2683723
dc.description.abstractThe Cluster Expansion formalism based on Density Functional Theory (DFT) simulation data has been applied for AlMg alloys with high accuracy ( meV/atom). The atomistic simulations are used to model the AlMg phase diagram, phase boundaries and the initial solute clustering at different compositions and temperatures. The obtained free energies of formation for the FCC, HCP and γ-phase are in accordance with the experimental phase diagram. The calculations demonstrate the formation of Guinier-Preston (GP) zones of (L phase) within the Al matrix under varying conditions. The computed transition temperatures where the ordered structures dissolve are approximately higher than experimental data. The free energy barriers associated with the formation of GP-zones increase as the solute (Mg) concentrations are reduced and the temperature is increased.en_US
dc.language.isoengen_US
dc.publisherElsevieren_US
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internasjonal*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/deed.no*
dc.titleAtomistic simulations of early stage clusters in Al-Mg alloysen_US
dc.typePeer revieweden_US
dc.typeJournal articleen_US
dc.description.versionacceptedVersionen_US
dc.source.pagenumber484-492en_US
dc.source.volume166en_US
dc.source.journalActa Materialiaen_US
dc.identifier.doi10.1016/j.actamat.2018.12.050
dc.identifier.cristin1696740
dc.description.localcode© 2019. This is the authors’ accepted and refereed manuscript to the article. Locked until 31.12.2020 due to copyright restrictions. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/en_US
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Attribution-NonCommercial-NoDerivatives 4.0 Internasjonal
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