Browsing Faculty of Science and Agriculture by Author "Chauke, H.R."

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Computational modelling of martesitic transformation of TiPd memory alloys

Diale, Ramogohlo Given (2021)

Titanium-based shape memory alloys have attracted a lot of attention due to their important technological applications including actuator devices, electronics, and medical stents. This is due to their shape memory effects ...
Computational modelling studies of FeAl-X ALLOYS(X: Pt, Ru, Pd and Ag)

Mkhonto, Chrestinah Surrender (2020)

In this work, we present first-principles calculation on the structural, thermodynamic, mechanical and electronic stabilities of Fe-Al and FeAl-X (X: Pt, Pd, Ru and Ag) alloys at lower and high temperatures. These systems ...
Computational studies of pyrite-and marcasite-type structures; OsAs2, OsS2, RuAs2, and RuS2

Rapetsoa, Mamphule Johannes (2009)

Calculations were carried out on transition-metal sulphides (TMS) and transitionmetal arsenides (TMA), in both pyrite- and marcasite-type structures, using planewave (PW) pseudopotential methods within density functional ...
First principle study of Ti-Al and Pt-Ti alloys

Mahlangu, Rosinah (2009)

The structural and energetic properties of the Ti-Al and Pt-Ti alloys have been carried out using first-principles total energy calculation of the density functional theory. We found a good correlation between VASP and ...

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