Abstract: Experimental data for the perovskite phase SrZrO3 were subjected to a critical thermodynamic assessment using the CALPHAD approach. Special attention was paid to the structural behavior of SrZrO3 to illustrate, how to select an appropriate thermodynamic model based on crystal structure and chemistry information, how to identify and resolve the inconsistency between various kinds of experimental data, and how to use thermodynamic modeling as a basic tool in the development and optimization of materials and process. Our assessment results in a Gibbs energy function covering the temperature range between 300 K and the melting point, which explains the experimental data within the experimental uncertainty.

Key words: thermodynamic modelling; CALPHAD; SrZrO3; experimentation; interaction