Molecular dynamics simulation was used to investigate the ionic conduction property of the fast-ion conductor, calcia-stabilized zirconia. The theoretical results agreed well with experimental measurements. It was suggested that the dopant cation distribution was a key factor controlling the ionic conduction of calcia-stabilized zirconia electrolytes, and could be used as a rule in microstructure design and control.Diffusion in Fast-Ion Conductor Calcia-Stabilized Zirconia: a Molecular Dynamics Study. Sun, J.Z., Wang, Y.M.: Chinese Physics Letters, 1998, 15[10], 727-9