作者: Samrat Choudhury , Jeffery A. Aguiar , Michael J. Fluss , Luke L. Hsiung , Amit Misra
DOI: 10.1038/SREP13086
关键词: Electronic structure 、 Chemical physics 、 Nanocomposite 、 Materials science 、 Oxide 、 Ellingham diagram 、 Dislocation 、 Oxygen content 、 Metal 、 Bioinformatics
摘要: The properties and performance of metal/oxide nanocomposites are governed by the structure chemistry interfaces. Here we report an integrated theoretical experimental study examining role interfacial structure, particularly misfit dislocations, on solute segregation at a interface. We find that local oxygen environment, which varies significantly between dislocations coherent terraces, dictates tendency solutes to Depending nature content, can change from attraction repulsion, revealing complex interplay These findings indicate is controlled dislocation density content. Fundamental thermodynamic concepts – Hume-Rothery rules Ellingham diagram qualitatively predict behavior such interfaces, providing design for novel chemistries.