from 28 June 2015 to 3 July 2015 (Africa/Johannesburg)
SAIP2015 Proceeding published on 17 July 2016
Thermodynamic and mechanical stability studies of Zr-Nb(Co) alloys
Presented by Mr. Magoja Martinus MALEBATI on 1 Jul 2015 from 10:00 to 10:20
Type: Oral Presentation
Track: Track A - Division for Physics of Condensed Matter and Materials
Knowledge of phase diagram and thermodynamic properties is important in many applications. We present the Zr<sub>78</sub>Nb<sub>22-x</sub>Co<sub>x</sub> 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.
H.R. Chauke. firstname.lastname@example.org university of limpopo.