8-12 July 2013
Africa/Johannesburg timezone
<a href="http://events.saip.org.za/internalPage.py?pageId=13&confId=32"><font color=#ff0000>SAIP2013 PROCEEDINGS AVAILABLE</font></a>

computer modelling studies of pressure dependance on cobalt pentlandite mineral

9 Jul 2013, 17:40
Poster Presentation Track A - Division for Condensed Matter Physics and Materials Poster1


Ms Mallasaitiwa Mphahlele (University of Limpopo)

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Main supervisor (name and email)<br>and his / her institution

Prof. P.E. Ngoepe, phuti.ngoepe@ul.ac.za, University of Limpopo, Materials Modelling centre.

Abstract content <br> &nbsp; (Max 300 words)

The study employs molecular dynamics to investigate the pressure dependence of cobalt pentlandite (Co9S8) mineral at high temperatures using interatomic potentials. Amongst the transition metal sulphides, the cubic Co9S8 is the most stable. Simulations were performed at various temperatures (1100K, 1300K and 1500K) and pressures (0GPa – 50GPa) in increments of 5GPa for each temperature. It was found that as the pressure is increased, the high form to low form inversion is reversible and the structure at high pressures transforms into liquid.

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Primary author

Ms Mallasaitiwa Mphahlele (University of Limpopo)

Presentation Materials

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