12-15 July 2011
Saint George Hotel
Africa/Johannesburg timezone
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The Mechanical and Structural Properties of the Pt-Ti and Ir-Ti Alloy Systems

Presented by Mr. Miguel CAVERO on 13 Jul 2011 from 14:15 to 14:30
Type: Oral Presentation
Session: Theoretical
Track: Track G - Theoretical and Computational Physics


<p>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.

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Room: Acro5

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