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Revisiting the Al/Al(2)O(3) Interface: Coherent Interfaces and Misfit Accommodation

We study the coherent and semi-coherent Al/α-Al(2)O(3) interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been e...

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Detalles Bibliográficos
Autores principales:	Pilania, Ghanshyam, Thijsse, Barend J., Hoagland, Richard G., Lazić, Ivan, Valone, Steven M., Liu, Xiang-Yang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group 2014
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3967201/ https://www.ncbi.nlm.nih.gov/pubmed/24670940 http://dx.doi.org/10.1038/srep04485

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