Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 328-342 |
| Number of pages | 15 |
| Journal | Calphad: Computer Coupling of Phase Diagrams and Thermochemistry |
| Volume | 33 |
| Issue number | 2 |
| DOIs | |
| State | Published - Jun 2009 |
| Externally published | Yes |
Funding
We wish to acknowledge the financial support of US Air Force through the SBIR projects. We would especially like to thank Dr. Jeff Simmons and his colleagues of the AFRL at Wright-Patterson for their continuing interest in this work.
Keywords
- Computational thermodynamics and kinetics
- Integrated computational materials engineering (ICME)
- Materials design and optimization
- Phase diagram calculation
- Precipitation simulation