Browsing by Author "Ackermann, L."

Now showing items 1-4 of 4

AB initio study of structural stability and electronic properties of ZrO2-xSx for 0<x<2

Mulaudzi, Masilu Godfrey (2015)

While the effect of sulphur on c-ZrO2 is often considered in application of advanced solid oxide fuel cells and biomass gasification cleanup, there has been little study on the effect of sulphur on general structure of ...
Computer modelling studies of gold nanoclusters, nanotubes and nanowires

Mahladisa, Mokete Abram (University of Limpopo (Turfloop Campus), 2011)

The importance of gold for scientific uses is of fundamental importance to research and technology developments. The bulk gold shows reluctance to participate in chemical reactions, the effect which has been corrected by ...
Computer modelling studies of the diffusion of low moleculer weight cyclic PDMS oligomer in PDMS polymer

Kubai, Thomas (University of Limpopo (Turfloop Campus), 2007)

Molecular dynamics simulations have been carried out in order to examine the mechanism of diffusion of molecules in amorphous polymer matrix. PDMS model was folded in to a periodic cell, generated by rotational isomeric ...
Computer simulations of structural and mechanical properties of cellulose allomorphs

Mashapa, Matete Gilbert (2008)

Cellulose is regarded as the most abundant polymer in nature and the first on which X-ray investigations had been performed, a year after the discovery of diffraction of X-rays on crystalline materials in 1912. It is one ...

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