Journal of Materials Science

, Volume 44, Issue 17, pp 4754–4757 | Cite as

Charge compensation in an irradiation-induced phase of δ-Sc4Zr3O12

  • Michael W. BlairEmail author
  • Mark R. Levy
  • Robin W. Grimes
  • Blas P. Uberuaga
  • Chao Jiang
  • James A. Valdez
  • Josh J. Williams
  • Ming Tang
  • Christopher R. Stanek
  • Kurt E. Sickafus

Robust materials that are durable under irradiation are needed by a resurgent nuclear industry, and oxide ceramics are leading candidates for a number of nuclear applications, such as the storage of nuclear waste [1]. The delta (δ) phase of Sc4Zr3O12 is an example of an oxide that has recently been shown to have excellent radiation tolerance/amorphization resistance [2, 3]. It has been proposed that the origin of the pronounced radiation tolerance in such materials is linked to crystal structure characteristics [3]. The structure of δ-Sc4Zr3O12 is similar to that of fluorite (CaF2), but with rhombohedral (not cubic) symmetry (space group \( R\bar{3} \)


Sc2O3 Defect Volume Charge Compensation Mechanism Generalize Gradient Approximation Approximation Perform Density Functional Theory 



This work was sponsored by two programs from the U.S. Department of Energy (DOE), Office of Basic Energy Sciences (OBES), Division of Materials Sciences and Engineering.


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Copyright information

© Springer Science+Business Media, LLC 2009

Authors and Affiliations

  • Michael W. Blair
    • 1
    Email author
  • Mark R. Levy
    • 2
  • Robin W. Grimes
    • 3
  • Blas P. Uberuaga
    • 4
  • Chao Jiang
    • 4
  • James A. Valdez
    • 4
  • Josh J. Williams
    • 4
  • Ming Tang
    • 4
  • Christopher R. Stanek
    • 4
  • Kurt E. Sickafus
    • 4
  1. 1.Earth and Environmental Science DivisionLos Alamos National LaboratoryLos AlamosUSA
  2. 2.British Energy plc.GloucesterUK
  3. 3.Department of MaterialsImperial College LondonLondonUK
  4. 4.Materials Science and Technology DivisionLos Alamos National LaboratoryLos AlamosUSA

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