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 | Ringdalen, Inga Gudem | |
dc.contributor.author | Strandlie, Are | |
dc.date.accessioned | 2021-03-29T11:59:48Z | |
dc.date.available | 2021-03-29T11:59:48Z | |
dc.date.created | 2021-03-25T10:39:44Z | |
dc.date.issued | 2021 | |
dc.identifier.citation | Computational Materials Science. 2021, 192 . | en_US |
dc.identifier.issn | 0927-0256 | |
dc.identifier.uri | https://hdl.handle.net/11250/2735985 | |
dc.description.abstract | The interfacial strengths of a low misfit Fe2Al5//Fe interface structure found at aluminum-steel joints has been studied using density functional theory. An interface between Fe and Fe2Al5 was selected based on a criteria of low lattice misfit and number of atoms. Through virtual tensile testing of bulk Fe2Al5 and the interface structures we show that the energy-displacement curve can be well described by including extra polynomial terms in the Universal Binding Energy Relation (UBER). It is shown that the Fe2Al5//Fe interface has a higher tensile strength than the bulk Fe2Al5 phase. We also find that the shear deformation process potentially can be initiated from an Fe-terminated interface | en_US |
dc.language.iso | eng | en_US |
dc.publisher | Elsevier | en_US |
dc.rights | Navngivelse 4.0 Internasjonal | * |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/deed.no | * |
dc.title | First-principles study of tensile and shear strength of an Fe2Al5//Fe interface | en_US |
dc.type | Peer reviewed | en_US |
dc.type | Journal article | en_US |
dc.description.version | publishedVersion | en_US |
dc.source.pagenumber | 110319 | en_US |
dc.source.volume | 192 | en_US |
dc.source.journal | Computational Materials Science | en_US |
dc.identifier.doi | https://doi.org/10.1016/j.commatsci.2021.110319 | |
dc.identifier.cristin | 1900959 | |
dc.description.localcode | © 2021 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/). | en_US |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 2 | |