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Thermal regimes of passivative oxide film formation on Al surface: Theoretical and experimental study
KTH, School of Engineering Sciences (SCI), Theoretical Physics, Condensed Matter Theory.ORCID iD: 0000-0001-7531-3210
KTH, School of Engineering Sciences (SCI), Theoretical Physics, Condensed Matter Theory.ORCID iD: 0000-0002-2076-5911
KTH, School of Chemical Science and Engineering (CHE), Chemistry, Corrosion Science.
2006 (English)In: Surface Science, ISSN 0039-6028, E-ISSN 1879-2758, Vol. 600, no 20, 4796-4800 p.Article in journal (Refereed) Published
Abstract [en]

We report results of ab initio molecular dynamics simulations of an Al surface exposed to an oxygen atmosphere. The results, supported by experiments performed in this study, demonstrate that the Al surface, by reacting with the oxygen molecules, can be heated above melting temperature and transformed into a liquid. This process is potentially capable of creating an amorphous corrosion scale which might possess an enhanced resistance to deterioration.

Place, publisher, year, edition, pages
2006. Vol. 600, no 20, 4796-4800 p.
Keyword [en]
Ab initio molecular dynamics, corrosion, melting, al(111), oxygen, o-2, chemisorption, dissociation, sticking
Identifiers
URN: urn:nbn:se:kth:diva-16102DOI: 10.1016/j.susc.2006.08.001ISI: 000241707200021Scopus ID: 2-s2.0-33750027982OAI: oai:DiVA.org:kth-16102DiVA: diva2:334144
Note
QC 20100525Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2017-12-12Bibliographically approved

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Belonoshko, Anatoly B.Rosengren, Anders

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