Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores

Uberuaga, Blas Pedro; Tang, Ming; Jiang, Chao; Valdez, James A.; Smith, Roger; Wang, Yongqiang; Sickafus, Kurt E.

doi:10.1038/ncomms9750

Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores

Journal Article · Thu Oct 29 00:00:00 EDT 2015 · Nature Communications

DOI:https://doi.org/10.1038/ncomms9750· OSTI ID:1239355

Uberuaga, Blas Pedro ^[1]; Tang, Ming ^[1]; Jiang, Chao ^[2]; Valdez, James A. ^[1]; Smith, Roger ^[3]; Wang, Yongqiang ^[1]; Sickafus, Kurt E. ^[4]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Thermo-Calc Software Inc., Pittsburgh, PA (United States)
Loughborough Univ., Loughborough (United Kingdom)
Univ. of Tennessee, Knoxville, TN (United States)

Understanding and predicting radiation damage evolution in complex materials is crucial for developing next-generation nuclear energy sources. Here, using a combination of ion beam irradiation, transmission electron microscopy and X-ray diffraction, we show that, contrary to the behaviour observed in pyrochlores, the amorphization resistance of spinel compounds correlates directly with the energy to disorder the structure. Using a combination of atomistic simulation techniques, we ascribe this behaviour to structural defects on the cation sublattice that are present in spinel but not in pyrochlore. Specifically, because of these structural defects, there are kinetic pathways for the relaxation of disorder in spinel that are absent in pyrochlore. This leads to a direct correlation between amorphization resistance and disordering energetics in spinel, the opposite of that observed in pyrochlores. Furthermore, these results provide new insight into the origins of amorphization resistance in complex oxides beyond fluorite derivatives.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1239355

Report Number(s):: LA-UR--15-22255; ncomms9750

Journal Information:: Nature Communications, Journal Name: Nature Communications Vol. 6; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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