Thermodynamic calculation of Iron Phases with Thermo Calc Software

Authors

  • Muharrem Zabeli University of Mitrovica
  • Afrim Osmani
  • Bastri Zeka

DOI:

https://doi.org/10.22399/ijcesen.964

Keywords:

ThermoCalc, Iron phases, Alloy, Composition, Thermodynamic analysis, Phase prediction

Abstract

Thermodynamic calculation of iron phases in alloys is crucial for understanding and optimizing their mechanical properties. This study focuses on predicting the iron phases in an alloy with the chemical composition of 0.45% Carbon, 0.15% Silicon, 0.60% Manganese, 0.40% Nickel, and 0.30% Chromium using Thermo-Calc software. Thermo-Calc is a powerful computational tool that facilitates the thermodynamic and phase equilibrium analysis of complex materials. By leveraging this software, we can simulate the microstructural evolution and phase transformations that occur during thermal processing. This research aims to provide a detailed thermodynamic assessment of the specified alloy composition, highlighting the stability and distribution of various iron phases such as ferrite, austenite, and carbides. The findings will contribute to a deeper understanding of the alloy's behaviour under different thermal conditions, offering insights for future alloy design and processing optimization. The experimental results obtained through Thermo-Calc simulations will be compared with available theoretical and empirical data to validate the accuracy and reliability of the predictions. This study underscores the importance of computational tools in advancing material science and engineering by enabling precise phase predictions and enhancing alloy performance.

References

[1] Chipman, J. (1972). Thermodynamics and phase diagram of the Fe–C system. Metallurgical Transactions, 3;55–64. DOI: https://doi.org/10.1007/BF02680585

[2] Gustafson, P. (1985). A thermodynamic evaluation of the Fe–C system. Scandinavian Journal of Metallurgy, 14;259–267.

[3] Fink, W., & Campbell, E. D. (1926). Influence of heat treatment and carbon content on the structure of pure iron–carbon alloys. Transactions of the American Society for Steel Treating, 9;717–752.

[4] Zener, C. (1946). Kinetics of the decomposition of austenite. Transactions of AIME, 167;550–595.

[5] Nagakura, S., Hirotsu, Y., Kusunoki, M., Suzuki, T., & Nakamura, Y. (1983). Crystallographic study of the tempering of martensitic carbon steel by electron microscopy and diffraction. Metallurgical Transactions A, 14;1025–1031. DOI: https://doi.org/10.1007/BF02670441

[6] ARBOUZ, H. (2024). Investigation of Epitaxial Misfit Strain Influence at the CsSn(I1-xBrx)3/SnO2 Interface on Photovoltaic Parameters in Cu2O/CsSn(I1-xBrx)3/SnO2 Perovskite Solar Cells. International Journal of Computational and Experimental Science and Engineering, 10(4). https://doi.org/10.22399/ijcesen.367 DOI: https://doi.org/10.22399/ijcesen.367

[7] Krauss, G. (1984). Tempering and structural change in ferrous martensitic structures. In A. R. Marder & J. I. Goldstein (Eds.), Phase Transformations in Ferrous Alloys Metallurgical Society of AIME. (pp. 101–123).

[8] ZEKA, B., Muharrem ZABELI, Nurten DEVA, Afrim OSMANI, & Mitja PETRIČ. (2025). Prediction of AlSi7MgLi Phases with Calphad Methodology. International Journal of Computational and Experimental Science and Engineering, 11(1). https://doi.org/10.22399/ijcesen.951 DOI: https://doi.org/10.22399/ijcesen.951

[9]Cena, B. (2024). Determination of the type of radioactive nuclei and gamma spectrometry analysis for radioactive sources. International Journal of Computational and Experimental Science and Engineering, 10(2). https://doi.org/10.22399/ijcesen.321 DOI: https://doi.org/10.22399/ijcesen.321

[10] P, G., Chidambara Kumar KN, Munikrishnaiah A, Chandraiah Tanguturu, & Indhu Priya M. (2024). Synthesis and Characterization of Zirconia-Based Ceramics: A Comprehensive Exploration of Film Formation and Mixed Metal Oxide Nanoparticle Synthesis. International Journal of Computational and Experimental Science and Engineering, 10(4). https://doi.org/10.22399/ijcesen.532 DOI: https://doi.org/10.22399/ijcesen.532

[11] Benz, M., & Elliott, J. (1961). The austenite solidus and revised iron–carbon diagram. Transactions of the Metallurgical Society of AIME, 221;323–331.

[12] Şen BAYKAL, D., Ghada ALMISNED, Hessa ALKARRANI, & H.O. TEKIN. (2024). Radiation Shielding Characteristics and Transmission Factor values of some Selected Alloys: A Monte Carlo-Based Study. International Journal of Computational and Experimental Science and Engineering, 10(4). https://doi.org/10.22399/ijcesen.421 DOI: https://doi.org/10.22399/ijcesen.421

[13] Chen, Q., & Sundman, B. (2001). Modeling of thermodynamic properties for bcc, fcc, liquid, and amorphous iron. Journal of Phase Equilibria, 22;631–644. DOI: https://doi.org/10.1007/s11669-001-0027-9

Downloads

Published

2025-05-05

How to Cite

Zabeli, M., Afrim Osmani, & Bastri Zeka. (2025). Thermodynamic calculation of Iron Phases with Thermo Calc Software. International Journal of Computational and Experimental Science and Engineering, 11(2). https://doi.org/10.22399/ijcesen.964

Issue

Section

Research Article