9-13 July 2012
Africa/Johannesburg timezone
<a href="http://events.saip.org.za/internalPage.py?pageId=11&confId=14"><font color=#ff0000>SAIP2012 PROCEEDINGS AVAILABLE</font></a>

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


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.

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

Phuti Ngoepe
University of Limpopo (Turfloop Campus)

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Primary author

Mr Maje Phasha (CSIR)

Presentation Materials