ESPEI: Extensible, self-optimizing phase equilibrium infrastructure for magnesium alloys

In order to store and use thermodynamic knowledge in materials design, we develop a user-friendly, extensible, self-optimizing phase equilibrium software package: ESPEI, which integrates databases (crystallographic, phase equilibrium, thermochemical, and modeled Gibbs energy data, etc) and database development (automation of thermodynamic modeling) with GUI (graphical user interface) designed mainly by Microsoft C# and SQL (structured query language). We establish the data infrastructure for storing input data used for thermodynamic modeling and output data for thermodynamic analyses. The infrastructure of experimental data storage as well as the automation of database development is unique for ESPEI. In this report, the features of ESPEI are demonstrated for the Al-Mg system.