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Molecular dynamics-based characterisation of early oxide in Fe/Cr alloys

The addition of Cr is known to work as an effective prevention against oxidation in Fe-based alloys. This can be attributed to the peripheral oxide, the structure of which is dependent on the composition of the alloy. Using Molecular Dynamic (MD) calculations with a Reactive Force Field (ReaxFF) pot...

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Autori principali: C. Leon M. Petersson, Filip Lenrick, Aylin Ahadi
Natura: Artigo
Lingua:Inglês
Pubblicazione: Elsevier 2022-11-01
Serie:Results in Surfaces and Interfaces
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Accesso online:http://www.sciencedirect.com/science/article/pii/S2666845922000289
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