title: Non-uniform Solute Segregation at Semi-Coherent Metal/Oxide Interfaces.
abstract: The properties and performance of metal/oxide nanocomposites are governed by the structure and chemistry of the metal/oxide interfaces. Here we report an integrated theoretical and experimental study examining the role of interfacial structure, particularly misfit dislocations, on solute segregation at a metal/oxide interface. We find that the local oxygen environment, which varies significantly between the misfit dislocations and the coherent terraces, dictates the segregation tendency of solutes to the interface. Depending on the nature of the solute and local oxygen content, segregation to misfit dislocations can change from attraction to repulsion, revealing the complex interplay between chemistry and structure at metal/oxide interfaces. These findings indicate that the solute chemistry at misfit dislocations is controlled by the dislocation density and oxygen content. Fundamental thermodynamic concepts – the Hume-Rothery rules and the Ellingham diagram – qualitatively predict the segregation behavior of solutes to such interfaces, providing design rules for novel interfacial chemistries.
authors: Los Alamos National Laboratory, Los Alamos NM 87545.
authors: Samrat
authors: S
authors: Choudhury
authors: Los Alamos National Laboratory, Los Alamos NM 87545.
authors: Jeffery A
authors: JA
authors: Aguiar
authors: Lawrence Livermore National Laboratory, Livermore, California 94551, USA.
authors: Michael J
authors: MJ
authors: Fluss
authors: Lawrence Livermore National Laboratory, Livermore, California 94551, USA.
authors: Luke L
authors: LL
authors: Hsiung
authors: Los Alamos National Laboratory, Los Alamos NM 87545.
authors: Amit
authors: A
authors: Misra
authors: Los Alamos National Laboratory, Los Alamos NM 87545.
authors: Blas P
authors: BP
authors: Uberuaga