27 September 2010 to 1 October 2010
CSIR Convention Centre
Africa/Johannesburg timezone

Ab-initio structural and mechanical stability study of the uranium – aluminium alloys (UAl2, UAl3 and UAl4)

Not scheduled
CSIR Convention Centre

CSIR Convention Centre

CSIR, Pretoria
Presentation Track A - Condensed Matter Physics and Material Science


Mr Teboho Cyprian Motsware (Student)


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


Dr Hasani Richard Chauke (Member) Prof. Phuti Ngoepe (Member)

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