PANDAT software with PanEngine, PanOptimizer and PanPrecipitation for multi-component phase diagram calculation and materials property simulation

摘要

The newly enhanced PANDAT, integrating PanEngine, PanOptimizer and PanPrecipitation, bridges thermodynamic calculation, property optimization, and kinetic simulation of multi-component systems based on CALPHAD (CALculation of PHAse Diagram) approach. This software package, in combination with thermodynamic/kinetic/thermo-physical databases, provides an integrated workspace for phase diagram calculation and materials property simulation of multi-component systems. The simulation results, which include thermodynamic, kinetic, thermo-physical properties, and microstructure related information, are critically needed in materials design, in the selection of parameters for fabrication steps such as heat treatment, prediction of performance, and failure analysis. In addition to the functionalities provided by PANDAT as a stand-alone program, its calculation/optimization engines (PanEngine, PanOptimizer and PanPrecipitation) are built as shared libraries and enable their integration with broader applications in the field of Materials Science and Engineering.