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July 2025
eBook (PDF)
Seyed Mohammad Mehdi Noori
Calphad-Based Alloy Design for FCC-Based Multi-Principal Element Alloys
A reliable Calphad-based database has been developed for multi-principal element alloys
with Al, C, Co, Cr, Fe, Mn, Ni, and V components. For this purpose, the Ni–V binary system
and the Al–Co–Mn, and Al–Co–Fe ternary systems were assessed using experimental data
from the literature. In addition, ab initio calculations for Ni–V at 0 K for all experimentally
reported stable phases were performed to enhance the thermodynamic modeling of this
system.
The main focus in modeling of the ternary systems was to handle order–disorder (bcc/B2) transition, which is dominant over a wide range of compositions and temperatures. In the Al–Co–Fe system, apart from the bcc/B2 transition, there was also magnetic transitions in the bcc and B2 phases. Therefore, a four-step procedure was used to reasonably model this system.
Following construction of the database, several Calphad calculations were carried out. The results were compared with experimental data to validate the reliability of the database. Finally, the constructed database was used to predict alloys and facilitate experimental alloy design with promising results.
The main focus in modeling of the ternary systems was to handle order–disorder (bcc/B2) transition, which is dominant over a wide range of compositions and temperatures. In the Al–Co–Fe system, apart from the bcc/B2 transition, there was also magnetic transitions in the bcc and B2 phases. Therefore, a four-step procedure was used to reasonably model this system.
Following construction of the database, several Calphad calculations were carried out. The results were compared with experimental data to validate the reliability of the database. Finally, the constructed database was used to predict alloys and facilitate experimental alloy design with promising results.
Keywords: Calphad; HEA; MPEA; Ni-V; Al-Co-Fe; Al-Co-Mn
Other formats
Print version: 978-3-8191-0137-3
DOI 10.2370/9783819102127
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