SAIP2015

Thermodynamic and mechanical stability studies of Zr-Nb(Co) alloys

1 Jul 2015, 10:00

20m

Oral Presentation Track A - Division for Physics of Condensed Matter and Materials DPCMM

Speaker

Mr Magoja Martinus Malebati (student)

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

MSc

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

yes

Please indicate whether<br>this abstract may be<br>published online<br>(Yes / No)

yes

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>

Knowledge of phase diagram and thermodynamic properties is important in many applications. We present the Zr₇₈Nb_22-xCo_x alloys, using the virtual crystal approximation as embedded in the Density Functional Theory (DFT), employing the Perdew Burke and Enzerhof (PBE) pseudopotentials. Their equilibrium lattice parameters, heats of formation, elastic properties and the density of states were evaluated to check the relative stability of competing phases. The smaller amount of Co is favourable for doping ZrNb alloy since it favours cladding purposes and is good for avoiding hydride attack. Furthermore, alloying with cobalt is significant since it is recommended for preparation of magnetic, wear-resistant and high strength alloys. The idea is to develop suitable materials which can withstand aggressive environments and high temperature operations.

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

No

Main supervisor (name and email)<br>and his / her institution

H.R. Chauke. hr.chauke@ul.ac.za university of limpopo.