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

Abstract

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.

Authors:
 [1];  [1];  [2];  [1];  [3];  [1];  [4]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Thermo-Calc Software Inc., Pittsburgh, PA (United States)
  3. Loughborough Univ., Loughborough (United Kingdom)
  4. Univ. of Tennessee, Knoxville, TN (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1239355
Report Number(s):
LA-UR-15-22255
Journal ID: ISSN 2041-1723; ncomms9750
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 6; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; physical sciences; condensed matter; materials science

Citation Formats

Uberuaga, Blas Pedro, Tang, Ming, Jiang, Chao, Valdez, James A., Smith, Roger, Wang, Yongqiang, and Sickafus, Kurt E.. Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores. United States: N. p., 2015. Web. https://doi.org/10.1038/ncomms9750.
Uberuaga, Blas Pedro, Tang, Ming, Jiang, Chao, Valdez, James A., Smith, Roger, Wang, Yongqiang, & Sickafus, Kurt E.. Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores. United States. https://doi.org/10.1038/ncomms9750
Uberuaga, Blas Pedro, Tang, Ming, Jiang, Chao, Valdez, James A., Smith, Roger, Wang, Yongqiang, and Sickafus, Kurt E.. Thu . "Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores". United States. https://doi.org/10.1038/ncomms9750. https://www.osti.gov/servlets/purl/1239355.
@article{osti_1239355,
title = {Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores},
author = {Uberuaga, Blas Pedro and Tang, Ming and Jiang, Chao and Valdez, James A. and Smith, Roger and Wang, Yongqiang and Sickafus, Kurt E.},
abstractNote = {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.},
doi = {10.1038/ncomms9750},
journal = {Nature Communications},
number = ,
volume = 6,
place = {United States},
year = {2015},
month = {10}
}

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