CALPHAD ANALYSIS OF THE CRYSTALLIZATION OF THE FECOALNITA ALLOY PRODUCED BY THE WAAM METHOD

Authors

DOI:

https://doi.org/10.32782/3041-2080/2026-7-11

Keywords:

CALPHAD, phase equilibrium, high-entropy alloy, wire arc additive manufacturing, Scheil crystallization, Laves phase, phase stability

Abstract

CALPHAD calculations were performed using Thermo-Calc software (TCHEA3 database) for the FeCoAlNiTa high-entropy alloy system produced by wire arc additive manufacturing (WAAM). The primary focus of this work is the thermodynamic description of the systems, allowing for a detailed tracking of the phase precipitation sequence, changes in their chemical composition, and solidification temperature ranges. The article analyzes the influence of alloying elements on the stability of solid solutions and the formation of intermetallic compounds. By utilizing modern software and up-to-date thermodynamic databases, the work illustrates a high degree of correlation between the computational models and experimental microstructural analysis data. Scheil–Gulliver solidification modeling demonstrates that tantalum enrichment in the residual liquid phase during the final stages of solidification promotes the eutectic formation of the C14_Laves phase in the interdendritic regions. The simulation results are consistent with the experimentally observed distribution of the Ta-enriched phase along the boundaries of dendritic branches. Equilibrium thermodynamic calculations (reflecting the state of the material upon reaching full thermodynamic equilibrium) at a temperature of 1000 °C show a molar fraction of the Laves phase of approximately 2.1%. This is significantly lower than the non-equilibrium level recorded in the as-deposited state, creating a thermodynamic driving force for the partial dissolution of the Laves phase during subsequent heat treatment. Pseudo-binary sections indicate that an increase in Ta content stabilizes the C14_Laves phase, while Al strongly promotes the formation of the ordered BCC_B2 phase. The obtained results provide a thermodynamic basis for understanding phase selection during solidification, evaluating heat treatment conditions, and optimizing the composition of this alloy. The CALPHAD analysis results presented in the article not only explain existing phase transformations but also enable the purposeful optimization of the chemical composition of alloys to achieve specified mechanical and operational characteristics

References

George E. P., Raabe D., Ritchie R. O. et al. High-entropy alloys. Nature Reviews Materials. 2019. Vol. 4. P. 515–534. DOI: https://doi.org/10.1038/s41578-019-0121-4.

Ai C., Wang G., Liu L. et al. Effect of Ta addition on solidification characteristics of CoCrFeNiTax eutectic high entropy alloys. Intermetallics. 2020. Vol. 120. Art. 106769. DOI: https://doi.org/10.1016/j.intermet.2020.106769.

Zhang Y., Chen X., Jayalakshmi S. et al. Factors determining solid solution phase formation and stability in CoCrFeNiX0.4 (X= Al, Nb, Ta) high entropy alloys fabricated by powder plasma arc additive manufacturing. Journal of Alloys and Compounds. 2021. Vol. 857. Art. 157625. DOI: https://doi.org/10.1016/j.jallcom.2020.157625.

Fujieda T., Shiratori H., Kuwabara K. et al. CoCrFeNiTi-based high-entropy alloy with superior tensile strength and corrosion resistance achieved by a combination of additive manufacturing using selective electron beam melting and solution treatment. Materials Letters. 2017. Vol. 189. P. 148–151. DOI: https://doi.org/10.1016/j.matlet.2016.11.054.

Pan Z., Ding D., Wu B. Arc Welding Processes for Additive Manufacturing: A Review. Transactions on ntelligent Welding Manufacturing. Springer, 2018. P. 3–24. DOI: https://doi.org/10.1007/978-981-10-8330-3_1

Shen Q., Kong X., Chen X. Fabrication of bulk Al-Co-Cr-Fe-Ni high-entropy alloy using combined cable wire arc additive manufacturing (CCW-AAM): Microstructure and mechanical properties. Journal of Materials Science & Technology. 2021. Vol. 74. P. 136–142. DOI: https://doi.org/10.1016/j.jmst.2020.09.034

Zavdoveev A., Baudin T., Brisset F. et al. High hardness Ta doped eutectic high entropy alloy by wire arc additive manufacturing. The International Journal of Advanced Manufacturing Technology. 2025. Vol. 138. P. 1251–1258. DOI: https://doi.org/10.1007/s00170-025-15384-3

Mao H., Chen H.-L., Chen Q. TCHEA1: A Thermodynamic Database Not Limited for “High Entropy” Alloys. Journal of Phase Equilibria and Diffusion. 2017. Vol. 38. P. 353–368. DOI: https://doi.org/10.1007/s11669-017-0542-z

Chen H.-L., Mao H., Chen Q. Database development and Calphad calculations for high entropy alloys: Challenges, strategies, and tips. Materials Chemistry and Physics. 2018. Vol. 210. P. 279–290. DOI: https://doi.org/10.1016/j.matchemphys.2017.07.082

Mao H., Selleby M. Evaluation of Calphad Approach and Empirical Rules on the Phase Stability of Multiprincipal Element Alloys. Journal of Phase Equilibria and Diffusion. 2017. Vol. 38. P. 382–396. DOI: https://doi.org/10.1007/s11669-017-0543-y

Wang X., Liu W., Huang C. et al. Effective design of Cr-Co-Ni-Ta eutectic medium entropy alloys with high compressive properties using combined CALPHAD and experimental approaches. Applied Sciences. 2021. Vol. 11, No. 13. Art. 6102. DOI: https://doi.org/10.3390/app11136102

Zavdoveev A., Klapatyuk A., Baudin T. et al. Non-equimolar Cantor high entropy alloy fabrication using metal powder cored wire arc additive manufacturing. Additive Manufacturing Letters. 2023. Vol. 5. Art. 100124. DOI: https://doi.org/10.1016/j.addlet.2023.100124

Zavdoveev A., Kim H. S., Heo Y.-U. et al. Microstructure and properties of HEA fabricated through metal powder wire arc additive manufacturing. Materials Letters. 2024. Vol. 357. Art. 135726. DOI: https://doi.org/10.1016/j.matlet.2023.135726

Keil B., Golisch M., Witusiewicz V. T. et al. Phase equilibria in the Al–Co–Cr–Fe–Ni high entropy alloy system: thermodynamic description and experimental study. Frontiers in Materials. 2020. Vol. 7. Art. 270. DOI:https://doi.org/10.3389/fmats.2020.00270

Zhang F., Zhang C., Chen S. L. et al. An understanding of high entropy alloys from phase diagram calculations. Calphad. 2014. Vol. 45. P. 1–10. DOI: https://doi.org/10.1016/j.calphad.2013.10.006

Published

2026-05-30