DESIGN OF CUBIC Ni-BASED ALLOYS FOR USE AS COATING IN PETROCHEMICAL INDUSTRY – A FIRST PRINCIPLES APPROACH
DOI:
https://doi.org/10.7166/33-3-2812Abstract
This work presents the structural stability and mechanical properties of ordered face-centred cubic (FCC) Ni-Cr binary and ternary alloys. The effects of alloying on these properties have been evaluated using the first principles density functional theory (DFT) within generalised gradient approximation (GGA). The calculated heats of formation show that the introduction of third elements (Al, Ti, Mo, Sn) improved the thermodynamic stability of the usually unstable L12 Ni3Cr phase. Unsurprisingly, ternary alloys that yielded higher mechanical properties were those alloyed with Al and Ti owing to their ability to form a very stable L12 phase with Ni. Therefore, the theoretical technique has been successfully employed to identify promising high-strength cubic Ni-based ternary intermetallic alloys that can be used as coatings.Downloads
Download data is not yet available.
Downloads
Published
2022-11-11
How to Cite
Phasha, M., Mulaudzi, M., & Moller, H. (2022). DESIGN OF CUBIC Ni-BASED ALLOYS FOR USE AS COATING IN PETROCHEMICAL INDUSTRY – A FIRST PRINCIPLES APPROACH. The South African Journal of Industrial Engineering, 33(3), 339–346. https://doi.org/10.7166/33-3-2812
Issue
Section
Special Edition
License
Authors who publish in the Journal agree to the following terms:- Authors retain copyright and grant the Journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this Journal.
- Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the Journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this Journal.
