8-12 July 2019
Polokwane
Africa/Johannesburg timezone
Deadline for papers for the conference proceedings is 15 August 2019

Investigating the effect of Co addition on the stability of B2 TiPd system using DFT approach

9 Jul 2019, 10:00
20m
Protea The Ranch Hotel (Polokwane)

Protea The Ranch Hotel

Polokwane

Oral Presentation Track A - Physics of Condensed Matter and Materials Physics of Condensed Matter and Materials

Speaker

Ms Ramogohlo Diale (University of Limpopo)

Description

The TiPd alloy exhibits thermoelastic martensitic phase transformation above 823 K and has potential for high-temperature shape memory applications. Previous studies showed that this alloy is unstable displaying a negative C′ at room temperature. In order to improve their properties, the effects of partial substitution of Pd with Co are being investigated. The structural, thermodynamic and elastic properties of TiPdCo alloys were simulated using first-principle calculations within the generalized gradient approximation based on density functional theory. The heat of formation increases with an increase in Co concentration, indicating stability at various compositions decrease. The independent elastic constants results revealed that stability is attained at above 31 at. % Co in agreement with the phonon dispersion curves. The calculated moduli confirm that alloying with Co effectively increases hardness and ductility in TiPd systems. These findings can have important implications for future materials design in aerospace industries.

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

Yes

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

MSc

Primary authors

Prof. Hasani Chauke (University of Limpopo) Prof. Phuti Ngoepe (University of Limpopo) Ms Ramogohlo Diale (University of Limpopo)

Co-author

Dr Rosinah Modiba (csir)

Presentation Materials

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