|About this Abstract
||2016 TMS Annual Meeting & Exhibition
||Thermodynamic Applications, Optimizations and Simulations in High-Temperature Processes: An EPD Symposium in Honor of Christopher W. Bale's 70th Birthday
||A New FactSage Optimization Tool and Its Application in the Assessment of Multicomponent Alkali-containing Oxide Systems
||Evgenii Nekhoroshev, Sergei Decterov
|On-Site Speaker (Planned)
FactSage thermodynamic databases are developed by assessment and optimization of experimental data on phase diagrams and thermodynamic properties. To perform the optimization, the data need to be visualized using the Phase Diagram and Equilib modules of FactSage. Usually, the model parameters in the database are adjusted by hand until the desired fit of the data is obtained. However, a series of examples will be shown where due to high correlation of parameters the mentioned procedure is ineffective.
To create an automatically operated optimization, a Matlab code was implemented, allowing to import the results of FactSage calculations into Matlab environment. The Matlab-FactSage interface uses built-in macro commands in combination with the xml format for FactSage output. The exported results are treated with the non-linear least squares algorithm. All principal data types can be supported by the optimization tool and its application to alkali-containing systems will be shown in a few examples.
||Planned: TMS Journal: Metallurgical and Materials Transactions