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Uberuaga BP, Tang M, Jiang C, et al. Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores. Nat Commun. 2015;6:8750doi: 10.1038/ncomms9750.
Uberuaga, B. P., Tang, M., Jiang, C., Valdez, J. A., Smith, R., Wang, Y., & Sickafus, K. E. (2015). Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores. Nature communications, 68750. https://doi.org/10.1038/ncomms9750
Uberuaga, Blas Pedro, et al. "Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores." Nature communications vol. 6 (2015): 8750. doi: https://doi.org/10.1038/ncomms9750
Uberuaga BP, Tang M, Jiang C, Valdez JA, Smith R, Wang Y, Sickafus KE. Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores. Nat Commun. 2015 Oct 29;6:8750. doi: 10.1038/ncomms9750. PMID: 26510750; PMCID: PMC4640074.
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Nat Commun. 2015 Oct 29;6:8750. doi: 10.1038/ncomms9750.

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

Nature communications

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

Affiliations

  1. Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
  2. Thermo-Calc Software Inc., Pittsburgh, Pennsylvania 15317, USA.
  3. Department of Mathematical Sciences, Loughborough University, Loughborough LE11 3TU, UK.
  4. Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA.

PMID: 26510750 PMCID: PMC4640074 DOI: 10.1038/ncomms9750

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. These results provide new insight into the origins of amorphization resistance in complex oxides beyond fluorite derivatives.

References

  1. Phys Rev Lett. 2004 Mar 19;92(11):115505 - PubMed
  2. J Phys Chem B. 2006 Feb 9;110(5):2343-50 - PubMed
  3. Phys Rev Lett. 2012 May 11;108(19):195504 - PubMed
  4. J Phys Condens Matter. 2013 May 1;25(17):173001 - PubMed
  5. Nat Mater. 2007 Mar;6(3):217-23 - PubMed
  6. Science. 2000 Aug 4;289(5480):748-51 - PubMed
  7. Phys Rev Lett. 1990 Jul 16;65(3):353-356 - PubMed
  8. Phys Rev Lett. 2001 Oct 1;87(14):145901 - PubMed
  9. Phys Rev B Condens Matter. 1996 Oct 15;54(16):11169-11186 - PubMed

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