| Issue |
MATEC Web Conf.
Volume 370, 2022
2022 RAPDASA-RobMech-PRASA-CoSAAMI Conference - Digital Technology in Product Development - The 23rd Annual International RAPDASA Conference joined by RobMech, PRASA and CoSAAMI
|
|
|---|---|---|
| Article Number | 09008 | |
| Number of page(s) | 8 | |
| Section | Computational & Data-driven Modelling | |
| DOI | https://doi.org/10.1051/matecconf/202237009008 | |
| Published online | 01 December 2022 | |
Structural and mechanical properties of monazite type LnPO4 (Ln = La, Ce, Pr and Nd)
1 Materials Modelling Centre, University of Limpopo, South Africa
2 Advanced Materials Division, MINTEK, South Africa
3 The South African Nuclear Energy Corporation Ltd. (Necsa), South Africa
* Corresponding author: lmotsomone@gmail.com
Monazite, as a source of raw materials, plays a significant role in the development and applications of green technologies, including medicine and energy production. It contains nuclear materials, which are challenging to extract by convectional cracking processes. However, a new method (thermal plasma cracking) has been proposed for processing monazite. The first principles calculation approach was used to investigate the theoretical structure and mechanical properties of monazite-systems to gain deeper understanding of monazite's thermodynamics and mechanical structure. The calculated lattice parameters were found to correlate well with obtained experimental values and that these monazite type systems are exceptionally mechanically stable. The results also show that there are imaginary soft modes in dispersion curves which may correspond to negative elastic constant C35 indicating vibrational instability.
© The Authors, published by EDP Sciences, 2022
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.
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.