| Issue |
MATEC Web Conf.
Volume 388, 2023
2023 RAPDASA-RobMech-PRASA-AMI Conference Advanced Manufacturing Beyond Borders - The 24th Annual International RAPDASA Conference joined by RobMech, PRASA and AMI, hosted by CSIR and CUT
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|---|---|---|
| Article Number | 02005 | |
| Number of page(s) | 7 | |
| Section | Computational & Data-driven Modelling seminar | |
| DOI | https://doi.org/10.1051/matecconf/202338802005 | |
| Published online | 15 December 2023 | |
Effect of precious metals (Ru, Rh, Pd, Os, Ir, Pt, Co) on structural, stability and ductility of Fe5Ni4S8 (P4_2/nmc) pentlandite: cluster expansion method
Materials Modelling Centre, University of Limpopo, Private Bag X1106, Sovenga 0727, South Africa
* Corresponding author: barnardkgwajana@gmail.com
This work investigated the effects of PGEs on structural, stability and ductility of Fe5Ni4S8 (P4_2/nmc). The cluster expansion (CE) method was used to predict the most stable (Fe,Ni)9S8 and further doped platinum group element on octahedral site iron of Fe5Ni4S8 (P4_2/nmc) Pn system. The structural and ductility of the most stable M(Fe,Ni)8S8 (M= Ru, Rh, Pd, Os, Ir, Pt) were investigated and compared to structural and ductility of Fe5Ni4S8 (P4_2/nmc) i.e undoped system. It was noted that doping PGEs on octahedral site of Fe5Ni4S8 (P4_2/nmc) did not change the symmetry, however the PGEs increased the ductility of Fe5Ni4S8 (P4_2/nmc)
© The Authors, published by EDP Sciences, 2023
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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