| Issue |
MATEC Web Conf.
Volume 417, 2025
2025 RAPDASA-RobMech-PRASA-AMI Conference: Bridging the Gap between Industry & Academia - The 26th Annual International RAPDASA Conference, joined by RobMech, PRASA and AMI, co-hosted by CSIR and Tshwane University of Technology, Pretoria
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| Article Number | 02004 | |
| Number of page(s) | 8 | |
| Section | Computational & Data-driven Modelling seminar | |
| DOI | https://doi.org/10.1051/matecconf/202541702004 | |
| Published online | 25 November 2025 | |
First-principles study of alloying effect on FCC Fe-Mn alloy
Advanced Materials Division, MINTEK, Private bag X 3015, Randburg, 2125, South Africa
* Corresponding author: majep@mintek.co.za
High manganese steels possess attractive attributes such as lower density than traditional steels, low cost, and high toughness, which renders them suitable for applications in automotive and energy industries. Despite appealing properties, binary FCC Fe-Mn alloys containing higher Mn content suffers from low yield strength. Consequently, current study employs density functional theory (DFT) based ab initio calculations to investigate effect of alloying by introducing alloying elements (Ni, Cr, Al). This will aid in identifying elastic properties that correlates with yield strength. In both NM and AFM states, lattice parameters increase with increase in alloying element but decreases Young’s modulus in the former.
© The Authors, published by EDP Sciences, 2025
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