Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids

dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorHirvonen, Petri
dc.contributor.authorLa Boissonière, Gabriel Martine
dc.contributor.authorFan, Zheyong
dc.contributor.authorAchim, Cristian
dc.contributor.authorProvatas, Nikolas
dc.contributor.authorElder, Ken R.
dc.contributor.authorAla-Nissilä, Tapio
dc.contributor.departmentCentre of Excellence in Quantum Technology, QTF
dc.contributor.departmentMcGill University
dc.contributor.departmentUniversity of Concepción
dc.contributor.departmentOakland University
dc.contributor.departmentDepartment of Applied Physicsen
dc.date.accessioned2018-10-24T09:39:48Z
dc.date.available2018-10-24T09:39:48Z
dc.date.issued2018-10-16
dc.description.abstractWhile the microscopic structure of defected solid crystalline materials has significant impact on their physical properties, efficient and accurate determination of a given polycrystalline microstructure remains a challenge. In this paper, we present a highly generalizable and reliable variational method to achieve this goal for two-dimensional crystalline and quasicrystalline materials. The method is benchmarked and optimized successfully using a variety of large-scale systems of defected solids, including periodic structures and quasicrystalline symmetries to quantify their microstructural characteristics, e.g., grain size and lattice misorientation distributions. We find that many microstructural properties show universal features independent of the underlying symmetries.en
dc.description.versionPeer revieweden
dc.format.extent14
dc.format.extent1-14
dc.format.mimetypeapplication/pdf
dc.identifier.citationHirvonen , P , La Boissonière , G M , Fan , Z , Achim , C , Provatas , N , Elder , K R & Ala-Nissilä , T 2018 , ' Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids ' , Physical Review Materials , vol. 2 , no. 10 , 103603 , pp. 1-14 . https://doi.org/10.1103/PhysRevMaterials.2.103603en
dc.identifier.doi10.1103/PhysRevMaterials.2.103603
dc.identifier.issn2475-9953
dc.identifier.otherPURE UUID: 62e67bea-49af-4f3a-be7c-9d660b3d4d4f
dc.identifier.otherPURE ITEMURL: https://research.aalto.fi/en/publications/62e67bea-49af-4f3a-be7c-9d660b3d4d4f
dc.identifier.otherPURE LINK: https://arxiv.org/abs/1806.00700
dc.identifier.otherPURE LINK: https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.2.103603
dc.identifier.otherPURE FILEURL: https://research.aalto.fi/files/28819556/PhysRevMaterials.2.103603.pdf
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/34461
dc.identifier.urnURN:NBN:fi:aalto-201810245523
dc.language.isoenen
dc.relation.ispartofseriesPhysical Review Materialsen
dc.relation.ispartofseriesVolume 2, issue 10en
dc.rightsopenAccessen
dc.subject.keywordphase field crystal
dc.subject.keywordmicrostructure
dc.subject.keywordquasicrystals
dc.subject.keywordpolycrystals
dc.subject.keywordgrains
dc.subject.keywordgrain boundaries
dc.subject.keywordgrain extraction
dc.subject.keywordtwo-dimensional materials
dc.subject.keywordmultiscale modeling
dc.subject.keywordmolecular dynamics
dc.titleGrain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solidsen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.versionpublishedVersion
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