SAIP2014

Computational Phase Stability Study of Pt Alloys and Nanoparticles

8 Jul 2014, 17:10

1h 50m

D Ring ground level

Board: A.447

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

Speaker

Dr Malebo Tibane (University of South Africa)

Level for award<br>&nbsp;(Hons, MSc, <br> &nbsp; PhD)?

None

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

No

Abstract content <br> &nbsp; (Max 300 words)<br><a href="http://events.saip.org.za/getFile.py/access?resId=0&materialId=0&confId=34" target="_blank">Formatting &<br>Special chars</a>

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.

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

No