First-Principle Study of the Interface of Al2O3/CoCr Metal-Based Composites

In this work, the interface bonding properties of Al2O3/CoCr metal matrix composites were calculated using first principles after Al2O3 was added to traditional CoCr alloys. The phase and microstructure alloy characterized. results indicate that binding ability (111)/CoCr (111) model strongest, electronic overlap its highest. charge density area highest, there a accumulation at interface. Meanwhile, influence amount on strength studied. It concluded best when 5% added. By studying composition composites, it shown uniform dense Al2O3, M6C, CoAl2O4 phases appeared, grain size finer.