Coatings, Vol. 13, Pages 680: First-Principle Study of the Interface of Al2O3/CoCr Metal-Based Composites

Coatings, Vol. 13, Pages 680: First-Principle Study of the Interface of Al2O3/CoCr Metal-Based Composites

Coatings doi: 10.3390/coatings13040680

Authors: Qin Hong Peikang Bai Zhanyong Zhao Jianhong Wang

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