Evidence for percolation diffusion of cations and material recovery in disordered pyrochlore from accelerated molecular dynamics simulations

Romain Perriot, Blas P. Uberuaga, Richard J. Zamora +2

We used classical and accelerated molecular dynamics simulations to characterize vacancy-mediated diffusion of cations in Gd${}_2$Ti${}_2$O${}_7$ pyrochlore as a function of the disorder…