Pilania, G. (author), Thijsse, B.J. (author), Hoagland, R.G. (author), Lazic, I. (author), Valone, S.M. (author), Liu, X.Y. (author) We study the coherent and semi-coherent Al/?-Al2O3 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 established. To understand the misfit accommodation...
journal article 2014