12-15 July 2011
Saint George Hotel
Africa/Johannesburg timezone

The Mechanical and Structural Properties of the Pt-Ti and Ir-Ti Alloy Systems

13 Jul 2011, 14:15


Oral Presentation Track G - Theoretical and Computational Physics Theoretical


Mr Miguel Cavero (University of KwaZulu-Natal)


Ab initio density functional calculations within the generalised gradient approximation (GGA) have been carried out on a wide range of phases and stoichiometries for the platinum-titanium (Pt-Ti) and iridium-titanium (Ir-Ti) alloy systems, using the Vienna Ab Initio Simulation Package (VASP). The elastic constants and elastic moduli are calculated and the electronic structure and density of states (DOS) are considered to understand the hardness and stability properties of the alloys.

Level (Hons, MSc, <br> &nbsp; PhD, other)? PhD
Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)? Yes
Consider for a student <br> &nbsp; award (Yes / No)? Yes

Primary author

Mr Miguel Cavero (University of KwaZulu-Natal)

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