9-13 July 2012
Effect of Li composition on HCP to BCC phase transformation in ultra-lightweight binary Mg-Li alloys: an ab initio study
Presented by Mr. Maje PHASHA on 12 Jul 2012 from 11:00 to 11:20
Type: Oral Presentation
Track: Track A - Division for Condensed Matter Physics and Materials
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.
Phuti Ngoepe Phuti.Ngoepe@ul.ac.za University of Limpopo (Turfloop Campus)