The annealing of the B cation interstitial was shown to drive the thermokinetic of
the response to irradiation of A2B2O7 pyrochlores. Molecular dynamics simulations
showed that the annealing of interstitials created by irradiation depended upon the
nature of B. As the coordination number of B decreased, the dumb-bell interstitial
was stabilized at the expense of the isolated interstitial. Unlike the isolated
interstitials, the recombination of the dumb-bells was thermally activated and
hindered at low temperatures. The occurrence of dumb-bells drove the structure
towards the amorphous state.
Key Role of the Cation Interstitial Structure in the Radiation Resistance of
Pyrochlores. A.Chartier, G.Catillon, J.P.Crocombette: Physical Review Letters,
2009, 102[15], 155503