8-12 July 2013
First-Principles Study of Thermodynamic and Dynamic Stability of Ru-Cr Alloys
Presented by Dr. Malebo TIBANE on 9 Jul 2013 from 17:40 to 18:40
Type: Poster Presentation
Track: Track A - Division for Condensed Matter Physics and Materials
Planewave pseudopotential calculations were conducted to predict the thermodynamic stability of five different phases, L12, A15, DOC, DO′C and tP16 of Ru3Cr and RuCr3 alloys. The heats of formation of all studied compositions and phases of Ru-Cr are positive. We have investigated the dynamic stability at 0 GPa for RuCr3 A15 phase, which was found to be dynamically stable.