| 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 | 06013 | |
| Number of page(s) | 12 | |
| Section | Computational & Data-driven Modelling | |
| DOI | https://doi.org/10.1051/matecconf/202541706013 | |
| Published online | 25 November 2025 | |
Effect of Ta on the structural, thermodynamic and elastic properties of FCC Pt-W-Ta alloys – first-principles study
1 Department of Materials Science and Metallurgical Engineering, University of Pretoria, Private Bag X20, Hatfield, 0028, South Africa.
2 Advanced Materials Division, MINTEK, Private bag X 3015, Randburg, 2125, South Africa
* Corresponding author: Kedibonel@mintek.co.za
This study employs density functional theory (DFT) to predict the mechanical properties of ternary Pt-W-Ta alloys with concentrations of up to 10 at.%. The binary FCC Pt-10W alloy served as a benchmark to assess the effects of Ta additions. All studied alloys were FCC structures and were thermodynamically and mechanically stable. Pt-7W-3Ta alloy exhibited higher elastic moduli than Pt-10W and Pt-3W-7Ta, making it suitable for durable jewellery components. Hardness increased with increasing Ta content at the expense of ductility. Pt-3W-7Ta displayed higher hardness than Pt-10W and Pt-7W-3Ta.
© The Authors, published by EDP Sciences, 2025
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