XRD Rietveld Simulations Y₂O₃ - ZrO₂ Phases

Abstract

X-ray diffraction patterns of tetragonal and cubic yttria-stabilized were simulated to test the capability of Rietveld refinement to accurately seperate the phases. The effects of peak broadening and different c/a ratios on the refinement results were investigated. Rietveld refinement is capable of separating the patterns of the two phases, even for assemblages containing high-yttria (10 mol% YO_1.5) tetragonal phases. The errors in refinement of mass fraction are generally less than 20% relative, and the errors in lattice parameters are less than 0.002 {Angstrom}, or ± 1 mol % YO_1.5.