SAIP2017

<b>Structural and thermodynamic properties of Zr-Nb-Co</b>

5 Jul 2017, 17:10

1h 50m

3rd and 4th floor passages (Engineering Building 51)

Board: 25

Poster Presentation Track A - Division for Physics of Condensed Matter and Materials Poster Session 2

Speaker

Mr Magoja Malebati (student)

Description

More advanced Zr-based alloys are being developed for the more severe operating conditions such as higher burn-up and increased operation temperature, this is due to their good resistance to corrosion and high melting point. In this work, density functional theory have been used to investigate the structural and thermodynamic properties of Zr-Nb-Co system at various concentrations. We used the virtual crystal approximation to introduce small Co content on different Zr-Nb composition, Zr₇₈Nb₂₂, Zr₉₇Nb₃, Zr_98.1Nb₂, Zr₉₉Nb₁, We found that the increase in Co concentration enhances the stability of the compound with the Zr₇₈Nb₂₂ being the most preferred composition, and the alloy is stable only at a small Co concentration of about 3%. The structure were also confirmed using XRD patterns. we also found that the Zr₇₈Nb_{17Co3 structure is stable above 900K}

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

MSc

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

H. R. Chauke, Hr.Chauke@ul.ac.za, University of Limpopo

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

Yes

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

No

Presentation Materials

Slides

SKMBT_22317081518430.pdf

SKMBT_22317081518440.pdf

Peer reviewing

Paper

Accepted on 23 Nov 2018 by Japie Engelbrecht

M._M._Malebati_Saip2017_FINAL_FINAL_23_Nov_2018.pdf