Speaker
Mr
Teboho Cyprian Motsware
(Student)
Description
We use DFT calculations within GGA-PBE approximation to investigate the structural and mechanical stability of uranium-aluminium systems. Our results provided excellent heats of formation and predict UAl2 to be more stable, in agreement with experiment. Phonon dispersion spectra confirmed relative structural trend, all three compounds where mechanical stability
Primary author
Mr
Teboho Cyprian Motsware
(Student)
Co-authors
Dr
Hasani Richard Chauke
(Member)
Prof.
Phuti Ngoepe
(Member)
