Computational modelling studies of Ti50-Pt50-x-Nbx alloys
Presented by Mr. Magoja Martinus MALEBATI on 8 Jul 2014 from 17:10 to 19:00
Type: Poster Presentation
Track: Track A - Division for Physics of Condensed Matter and Materials
Board #: A.203
Shape Memory Alloys (SMAs) are materials which have the ability to return to the initial shape when heated beyond certain temperatures. The behaviour is unique due to the superelasticity and shape memory effect which is possessed by the materials. NiTi is one of the materials that have received wide technological applications but it is limited by its low transformation temperature of 100°C. This has called for the growing demand of SMAs which can be used at high temperatures in the transportation, energy, and systems and control industries, TiPt was found to be amongst the potential high temperature shape memory alloys (HTSMAs) which can be used since its transformation temperature is around 1000°C. In this work Nb was substituted on the Pt sublattice to check its effect on the martensitic transformation temperature. The Ti<sub>50</sub>-Pt<sub>50-x</sub>-Nb<sub>x</sub> ternaries were determined using the virtual crystal approximation. The investigated structures were optimized and their equilibrium lattice parameters and formation energies were calculated. The lattice parameters were found to be fluctuating minimally with an increase in the Nb concentration. The elastic properties and the density of states for the Ti<sub>50</sub>-Pt<sub>50-x</sub>-Nb<sub>x</sub> ternaries were also calculated.
Prof. P.E. Ngoepe firstname.lastname@example.org University of Limpopo