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Atomistic Simulation of Y‐Doped α‐Alumina Interfaces
Author(s) -
Galmarini Sandra,
Aschauer Ulrich,
Bowen Paul,
Parker Stephen C.
Publication year - 2008
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/j.1551-2916.2008.02619.x
Subject(s) - materials science , yttrium , grain boundary , doping , nucleation , dopant , sintering , diffusion , creep , chemical physics , work (physics) , chemical engineering , mineralogy , condensed matter physics , composite material , microstructure , metallurgy , thermodynamics , oxide , chemistry , optoelectronics , physics , engineering
The exact mechanism of creep resistance enhancement due to yttrium (Y) doping in α‐alumina is still subject to speculation, although it is known that dopants segregate strongly to grain boundaries. The current work applies atomistic simulation techniques to the study of segregation to a reasonable number of interfaces in Y‐doped α‐alumina. Y is shown to segregate stronger to surfaces than grain boundaries and to form ordered structures at the interfaces, which may decrease diffusion coefficients. These Y‐ordered regions may act as nucleation sites for YAG precipitates particularly for rapid sintering techniques.