Speaker
Mr
Adewumi Popoola
(School of Physics, University of the Witwatersrand, Johannesburg)
Description
We have used electronic structure method based upon Density Functional Theory (DFT) formalism to search for new class of high temperature super-alloys. Our search is focused on alloys between the noble metals and aluminum. Over-estimation of the properties of our target alloys was avoided by approximating only the gradient of the exchange and correlation functional. The behavior of each alloy to stress was investigated using volume-conserving strains. Our calculation’s result predicts that alloys based on iridium (Ir) and rhodium (Rh) should combine good high temperature strength with structural stability.
Primary author
Mr
Adewumi Popoola
(School of Physics, University of the Witwatersrand, Johannesburg)
Co-author
Prof.
John Lowther
(School of Physics, University of the Witwatersrand)
