8-12 July 2013
Africa/Johannesburg timezone
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computer modelling studies of pressure dependance on cobalt pentlandite mineral

Presented by Ms. Mallasaitiwa MPHAHLELE on 9 Jul 2013 from 17:40 to 18:40
Type: Poster Presentation
Session: Poster1
Track: Track A - Division for Condensed Matter Physics and Materials


The study employs molecular dynamics to investigate the pressure dependence of cobalt pentlandite (Co<sub>9</sub>S<sub>8) mineral at high temperatures using interatomic potentials. Amongst the transition metal sulphides, the cubic Co<sub>9</sub>S<sub>8 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.




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



Primary authors