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Radiation-induced structural changes, percolation effects and resistance to amorphization by radiation damage

Published online by Cambridge University Press:  01 February 2011

Kostya Trachenko,
Martin T Dove,
Miguel Pruneda,
Emilio Artacho,
Ekhard Salje,
Thorsten Geisler,
Ilian Todorov and
Bill Smith
Kostya Trachenko
Affiliation:
Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK, e-mail kot@esc.cam.ac.ukCavendish Laboratory, University of Cambridge, Madingley Road, Cambridge, CB3 OHE, UK
Martin T Dove
Affiliation:
Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK, e-mail kot@esc.cam.ac.uk
Miguel Pruneda
Affiliation:
Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK, e-mail kot@esc.cam.ac.uk
Emilio Artacho
Affiliation:
Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK, e-mail kot@esc.cam.ac.uk
Ekhard Salje
Affiliation:
Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK, e-mail kot@esc.cam.ac.uk
Thorsten Geisler
Affiliation:
Institut für Mineralogie, University of Munster, Corrensstrasse 24, D-48149 Munster, Germany
Ilian Todorov
Affiliation:
Computational Science and Engineering Department, CCLRC Daresbury Laboratory, Daresbury, Warrington, WA44AD, UK
Bill Smith
Affiliation:
Computational Science and Engineering Department, CCLRC Daresbury Laboratory, Daresbury, Warrington, WA44AD, UK
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Abstract

We combine simulation, theoretical and experimental results to study radiation damage effects in complex oxides under irradiation. In zircon, we study large density variations in the damaged structure, and show how damage percolation results in the enhanced transport extending to macroscopic lengthscale, and suggest that percolation threshold serve as a benchmark for acceptable waste load in a waste form. In perovskite, we identify common defects in the damaged structure, and relate their stability to chemical bonding. Finally, we formulate the criterion for resistance to amorphization by radiation damage: a material is amorphizable if it is able to form a covalent network.

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References

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