| Abstract
| - A “simulated amorphization and recrystallization” technique is employed to explore the structural modificationsand epitaxial relationships, which evolve within a CeO2 thin-film when supported on yttrium-stabilized zirconia(YSZ). The epitaxial relationship identified within the CeO2/YSZ(111) system facilitates a reduction in thelattice misfit from ca. 6.1% (bulk misfit) to ca. 1% thereby, in part, stabilizing the system. In addition, edgedislocation networks and defects, including vacancies, substitutions, and interstitials evolve in both the CeO2and the underlying YSZ to reduce further this residual misfit. Graphical techniques are employed to characterizeand present, the epitaxial relationships and atomistic structure of the dislocation networks and defects thatevolve within the system. Because experimentation is, at present, unable to explore the structural featuresthat evolve within supported thin films with three-dimensional atomistic resolution, simulation provides aninvaluable complement with which to study supported catalysts.
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