Calculation of the Fe-Fe3C phase equilibrium diagram

Henryk Adrian, Przemysław Marynowski, Dariusz Jędrzejczyk

AGH University of Science and Technology, al. Mickiewicza 30, 30-059 Kraków.

DOI:

https://doi.org/10.7494/cmms.2015.1.0520

Abstract:

In heat treatment processes of steel the very important role plays the Fe-Fe3C phase equilibrium diagram. It enables the selection of the temperature of austenitisation in respect to carbon content in steel as well as to predict the microstructure composition of annealed steel. For numerical calculation of the phase equilibrium diagrams the CALPHAD method is applied, based on the knowledge of Gibbs energy of phases existing in alloy as functions of temperature and chemical composition of alloy, G=f(T,C). The existing phases in Fe-Fe3C system are: liquid, austenite, ferrite and cementite. The functions of Gibbs free energy, G(T,C), for these phases were published elsewhere. The basic rule for the phase equilibrium diagrams calculations is to calculate the minimum free energy, G, conditions in system for actual parameters: temperature, T, pressure, p, and chemical composition of alloy. In presented paper the algorithm for Fe-Fe3C phase diagram calculation and developed computer program, PD_Fe_Fe3C are presented. Results of calculations using this program were compared with date obtained using commercial program, Thermo-Calc and both results were identical. Developed computer program is open and can take into account the alloy elements applied in steel in order to improve their physical properties. The data base for the effect of alloying elements on the free energy of system was prepared, enabling to calculate the effect of common alloying elements, such as Mn, Cr, Si or Ni, on critical temperatures, A1, A3, Acm. The program may be used for calculation the driving force for phase transformations which occur during heat treatment of steel process as well as in modeling the image of microstructure formed during heat treatment using such numerical methods as cellular automata, CA, or phase field method, PFM.

Cite as:

Adrian, H., Marynowski, P., & Jędrzejczyk, D. (2015). Calculation of the Fe-Fe3C phase equilibrium diagram. Computer Methods in Materials Science, 15(1), 179-184. https://doi.org/10.7494/cmms.2015.1.0520

Article (PDF):