Figure 2 | Scientific Reports

Figure 2

From: Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO2 and HfO2

Figure 2

Center: contour plots of X-ray diffraction (XRD) patterns (λ = 0.12359 Å) with cubic ZrO2 and HfO2 from tetragonal-to-cubic transition to melting onset. The patterns obtained from ab initio MD simulations are included for comparison. Top and bottom: Pawley refinements of XRD patterns of cubic ZrO2 and HfO2 in the presence of melt and tetragonal phase (experimental data points, modeled pattern and difference curve). See Supplementary Information for refinement results for all patterns depicted in contour plots.

Back to article page