dc.contributor.author | Khalid, Muhammad Zeeshan | |
dc.contributor.author | Friis, Jesper | |
dc.contributor.author | Ninive, Per Harald | |
dc.contributor.author | Marthinsen, Knut | |
dc.contributor.author | Strandlie, Are | |
dc.date.accessioned | 2020-01-03T12:59:53Z | |
dc.date.available | 2020-01-03T12:59:53Z | |
dc.date.created | 2020-01-02T12:21:10Z | |
dc.date.issued | 2020 | |
dc.identifier.citation | Computational materials science. 2020, 174 . | nb_NO |
dc.identifier.issn | 0927-0256 | |
dc.identifier.uri | http://hdl.handle.net/11250/2634819 | |
dc.description.abstract | First-principles virtual tensile and shear test calculations have been performed to Al(0 0 )//-AlFeSi(0 0 1) and Al(0 4)//Fe4Al13(1 0 ) interfaces by the ab initio pseudo potential density functional theory method. Work of separation, ultimate tensile strength and shear strength of bulk and interface structures were calculated. The Al(0 0 )/-AlFeSi(0 0 1) interface showed higher tensile strength than the Al(0 4)//Fe4Al13(1 0 ) interface structure. Moreover, interface calculations revealed a charge depletion region in the second layer of the Fe4Al13 structure, which caused lower work of separation. Furthermore, shear calculations showed stronger shear strength for the Al(0 4)//Fe4Al13(1 0 ) interface than for the Al(0 0 1)//-AlFeSi(0 0 1) interface structure. | nb_NO |
dc.language.iso | eng | nb_NO |
dc.publisher | Elsevier | nb_NO |
dc.rights | Navngivelse 4.0 Internasjonal | * |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/deed.no | * |
dc.title | Ab-initio study of atomic structure and mechanical behaviour of Al / Fe intermetallic interfaces | nb_NO |
dc.type | Journal article | nb_NO |
dc.type | Peer reviewed | nb_NO |
dc.description.version | publishedVersion | nb_NO |
dc.source.pagenumber | 109481 | nb_NO |
dc.source.volume | 174 | nb_NO |
dc.source.journal | Computational materials science | nb_NO |
dc.identifier.doi | https://doi.org/10.1016/j.commatsci.2019.109481 | |
dc.identifier.cristin | 1765133 | |
dc.description.localcode | © 2019 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/BY/4.0/). | nb_NO |
cristin.unitcode | 194,64,94,0 | |
cristin.unitcode | 194,66,20,0 | |
cristin.unitcode | 194,66,35,0 | |
cristin.unitname | Institutt for vareproduksjon og byggteknikk | |
cristin.unitname | Institutt for fysikk | |
cristin.unitname | Institutt for materialteknologi | |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 2 | |