SAIP2012

Effect of Li composition on HCP to BCC phase transformation in ultra-lightweight binary Mg-Li alloys: an ab initio study

12 Jul 2012, 11:00

20m

Oral Presentation Track A - Division for Condensed Matter Physics and Materials DCMPM2

Speaker

Mr Maje Phasha (CSIR)

Abstract content <br> &nbsp; (Max 300 words)

Density functional theory based first-principles total energy calculations are used to determine the lithium concentration dependence of equilibrium lattice parameters, densities, binding and mixing energies (phase stability) and elastic propertis of binary random Mg1-xLix alloys spanning the 0 to 30 atomic percent Li concentration range, in the HCP, FCC and BCC structures. A model for predicting phase stability and elastic properties of random alloys is proposed. The Li composition that induces crystal structural changes leading to crucial HCP to BCC transition are analysed.

Apply to be<br> consider 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)?

Yes

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

PhD

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

Phuti Ngoepe
Phuti.Ngoepe@ul.ac.za
University of Limpopo (Turfloop Campus)

Presentation Materials

Paper

Effect_of_Li_composition_on_HCP_to_BCC_phase_transformation_in_ultra-lightweight_binary_Mg-Li_alloys-an_ab_initio_study.doc