Simulating surface diffusion and surface growth in ceramics.

@article{Lavrentiev2004SimulatingSD,
  title={Simulating surface diffusion and surface growth in ceramics.},
  author={M Yu Lavrentiev and Duncan J. Harris and John H Harding and Neil L. Allan and John A. Purton},
  journal={Dalton transactions},
  year={2004},
  volume={19},
  pages={
          3071-5
        }
}
We examine the movement of ion pairs on the surfaces of simple oxides. Using temperature-accelerated dynamics the elementary processes involved are identified and the activation energies of these used as input to kinetic Monte Carlo simulations. Results are presented for the motion of BaO and SrO ion pairs on the (100) surfaces of BaO and SrO, respectively, and the formation of island pairs on these surfaces is studied. The simulations reveal the importance of exchange mechanisms in surface… CONTINUE READING

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