Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/7503
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dc.contributor.authorAral, Gürcan-
dc.contributor.authorİslam, Md Mahbubul-
dc.contributor.authorWang, Yun-Jiang-
dc.contributor.authorOgata, Shigenobu-
dc.contributor.authorvan Duin, Adri C. T.-
dc.date.accessioned2019-12-19T08:36:00Z
dc.date.available2019-12-19T08:36:00Z
dc.date.issued2018en_US
dc.identifier.citationAral, G., İslam, M. M., Wang, Y.-J., Ogata, S., van Duin, A. C. T. (2018). Oxyhydroxide of metallic nanowires in a molecular H2O and H2O2 environment and their effects on mechanical properties. Physical Chemistry Chemical Physics, 20(25), 17289-17303. doi:10.1039/c8cp02422gen_US
dc.identifier.issn1463-9076
dc.identifier.issn1463-9084-
dc.identifier.issn1463-9076-
dc.identifier.urihttps://doi.org/10.1039/c8cp02422g
dc.identifier.urihttps://hdl.handle.net/11147/7503
dc.description.abstractTo avoid unexpected environmental mechanical failure, there is a strong need to fully understand the details of the oxidation process and intrinsic mechanical properties of reactive metallic iron (Fe) nanowires (NWs) under various aqueous reactive environmental conditions. Herein, we employed ReaxFF reactive molecular dynamics (MD) simulations to elucidate the oxidation of Fe NWs exposed to molecular water (H2O) and hydrogen peroxide (H2O2) environment, and the influence of the oxide shell layer on the tensile mechanical deformation properties of Fe NWs. Our structural analysis shows that oxidation of Fe NWs occurs with the formation of different iron oxide and hydroxide phases in the aqueous molecular H2O and H2O2 oxidizing environments. We observe that the resulting microstructure due to pre-oxide shell layer formation reduces the mechanical stress via increasing the initial defect sites in the vicinity of the oxide region to facilitate the onset of plastic deformation during tensile loading. Specifically, the oxide layer of Fe NWs formed in the H2O2 environment has a relatively significant effect on the deterioration of the mechanical properties of Fe NWs. The weakening of the yield stress and Young modulus of H2O2 oxidized Fe NWs indicates the important role of local oxide microstructures on mechanical deformation properties of individual Fe NWs. Notably, deformation twinning is found as the primary mechanical plastic deformation mechanism of all Fe NWs, but it is initially observed at low strain and stress level for the oxidized Fe NWs.en_US
dc.description.sponsorshipTUBITAK (BDEB 2219 1059B191400364); Elements Strategy Initiative for Structural Materials (ESISM); Ministry of Education, Culture, Sports, Science and Technology, Japan (MEXT); Japan Society for the Promotion of Science; Grants-in-Aid for Scientific Research (KAKENHI)en_US
dc.language.isoenen_US
dc.publisherRoyal Society of Chemistryen_US
dc.relation.ispartofPhysical Chemistry Chemical Physicsen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectNanowiresen_US
dc.subjectOxidation processen_US
dc.subjectHydrogen peroxideen_US
dc.subjectMetallic ironen_US
dc.titleOxyhydroxide of metallic nanowires in a molecular H2O and H2O2 environment and their effects on mechanical propertiesen_US
dc.typeArticleen_US
dc.authorid0000-0002-0800-0510en_US
dc.institutionauthorAral, Gürcan-
dc.departmentIzmir Institute of Technology. Physicsen_US
dc.identifier.volume20en_US
dc.identifier.issue25en_US
dc.identifier.startpage17289en_US
dc.identifier.endpage17303en_US
dc.identifier.wosWOS:000436571800044en_US
dc.identifier.scopus2-s2.0-85049197802en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1039/c8cp02422g-
dc.identifier.pmid29901673en_US
dc.relation.doi10.1039/c8cp02422gen_US
dc.coverage.doi10.1039/c8cp02422gen_US
dc.identifier.scopusqualityQ1-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.openairetypeArticle-
item.fulltextWith Fulltext-
item.cerifentitytypePublications-
item.grantfulltextopen-
item.languageiso639-1en-
crisitem.author.dept04.05. Department of Pyhsics-
Appears in Collections:Physics / Fizik
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Sürdürülebilir Yeşil Kampüs Koleksiyonu / Sustainable Green Campus Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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