The thermodynamic description for the Fe-Zn system was updated using CALPHAD approach. A set of self-consistent thermodynamic model parameters for this system was obtained by considering the available experimental data. Compared with the previous thermodynamic modeling, the present assessment with fewer parameters shows not only a better agreement with the experiments but also sounder physical meaning. The present CALPHAD modeling coupled with the ab initio calculations were used to predict the enthalpies of formation of the solid phases in the Fe-Zn system.
|Original language||English (US)|
|Number of pages||8|
|Journal||Calphad: Computer Coupling of Phase Diagrams and Thermochemistry|
|State||Published - Jun 2009|
All Science Journal Classification (ASJC) codes
- Chemical Engineering(all)
- Computer Science Applications