Speaker
Main supervisor (name and email)<br>and his / her institution
Hasani Chauke
hr.chauke@ul.ac.za
University of Limpopo
Apply to be<br> considered for a student <br> award (Yes / No)?
Yes
Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?
No
Level for award<br> (Hons, MSc, <br> PhD, N/A)?
Msc
Please indicate whether<br>this abstract may be<br>published online<br>(Yes / No)
No
Abstract content <br> (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>
Shape memory alloys (SMAs) are unique metals that can remember their previous shape after being deformed and can return to their previous form when heated above certain temperatures. SMAs exhibits two unique properties arising from a solid-to-solid, diffusionless phase transformation namely the shape memory effect and superelastisity. The stability of the Ti50-xPt50Zrx ternary is investigated using the supercell approach. The supercell approach, embedded in VASP was used to partially substitute Ti with Zr atoms on the cubic Ti50Pt50 to form Ti50-xPt50Zrx. We found that the lattice parameters were reproduced and agree with the available experimental values. The calculated heats of formation predict that the Zr18.25Ti31.25Pt50 is the most stable structure whereas Zr25Ti25Pt50 is the least stable. The mechanical properties in terms of elastic constant at 0K were found to be consistent with the calculated heats of formation. LAMMPS code was successfully used to determine the mechanical and temperature dependence of the Ti50-xPt50Zrx ternaries at various temperature range.