Computational Phase Stability Study of Pt Alloys and Nanoparticles
Presented by Dr. Malebo TIBANE on 8 Jul 2014 from 17:10 to 19:00
Type: Poster Presentation
Track: Track A - Division for Physics of Condensed Matter and Materials
Board #: A.447
The phase stability of PtCr alloy was studied by using the plane- wave pseudopotential methods. We report the structural, electronic and dynamic stability of five different phases of PtCr alloys. The elastic constants and moduli were investigated to determine the strength of the systems. The results predict the stable structures we recommend to be used for high temperature applications in aggressive environments. Our findings form the basis of stability study of Pt nanoparticles.