| Issue |
MATEC Web Conf.
Volume 406, 2024
2024 RAPDASA-RobMech-PRASA-AMI Conference: Unlocking Advanced Manufacturing - The 25th Annual International RAPDASA Conference, joined by RobMech, PRASA and AMI, hosted by Stellenbosch University and Nelson Mandela University
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| Article Number | 06002 | |
| Number of page(s) | 9 | |
| Section | Computational & Data-driven Modelling | |
| DOI | https://doi.org/10.1051/matecconf/202440606002 | |
| Published online | 09 December 2024 | |
Effect of Pd substitution on elastic and lattice dynamic properties of B2 Ti50Ru50 – ab initio study
1 Advanced Materials Division, MINTEK, Randburg, South Africa
2 School of Physics, University of the Witwatersrand, Johannesburg, South Africa
* Corresponding author: Bonganing@mintek.co.za & 2623288@students.wits.ac.za
Owing to Nitinol's success, shape memory alloys (SMAs) enjoy unwavering attention as key futuristic intelligent structural materials. Despite the excellent shape memory effect (SME) and pseudo-elasticity, Nitinol is susceptible to high-temperature applications. Extensive research has been conducted to discover SMAs with improved higher-temperature properties by considering PGM-bearing B2 Ti-based compounds. In this study, the impact of palladium (Pd) addition on Ti50Ru50 to yield Ti50Ru50- xPdx ternary compounds with martensitic transformation (MT) was investigated by employing a supercell approach. With the addition of Pd up to 25 at. %, B2 Ti50Ru50-xPdx remained stable (C11>C12), while ternaries with Pd ≥ 31.25 at. % were found unstable (C11<C12).
© The Authors, published by EDP Sciences, 2024
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