SAIP2013

computer modelling studies of pressure dependance on cobalt pentlandite mineral

9 Jul 2013, 17:40

1h

Poster Presentation Track A - Division for Condensed Matter Physics and Materials Poster1

Speaker

Ms Mallasaitiwa Mphahlele (University of Limpopo)

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.

Apply to be<br> considered for a student <br> &nbsp; award (Yes / No)?

No

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

The study employs molecular dynamics to investigate the pressure dependence of cobalt pentlandite (Co₉S_{8) 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.}

Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?

No