Theoretical And Experimental Investigation Of Multilayer (Tialsiy)N/Crn Coating Before And After Gold Ions Implantation

HIGH TEMPERATURE MATERIAL PROCESSES(2021)

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摘要
This paper introduces the theoretical and experimental investigation of multilayer (TiAlSiY)N/CrN coating deposited on a steel substrate using the cathodic-arc evaporation technique. The first-principles calculations show that the deposition of Ti1-xAlxN/CrN nanolayer with high Al-x content (x = 0.75) has a severe stabilization effect that certainly promotes the phase separation. The calculated mixing energy of Ti1-xAlxN/CrN heterostructures is 0.11 eV/N at x = 0.75, and gradually decreases to 0.07 eV/N when x = 0.25. The results of the diffraction data show the presence of a typical rock salt cubic structure with superlattice {111} textured growth in (TiAlSiY)N/CrN coating. Chemical bonding studies reveal the formation of pronounced Al-N, Al-Ti-N bonds with prevailing Al concentration, low-intensity Si-N bonding, and oxide Al-O and Ti-O bonds. Heavy Au ions implantation induces the formation of nanocomposite and nanocrystalline in the coating's surface without substantial structural changes in depth. In the implanted region, nitrogen content decreases 0.5-fold due to sputtering loss by Au ions. In the implanted coating, the surface (TiAlSiY)N layer demonstrates very weak traces of gold ions, indicating that ions pass through this layer completely and stop at the subsequent CrN layer before reaching the next layer interface.
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关键词
ion implantation, heterostructures, mixing energy, formation energy, phase state, elemental composition, chemical bonds
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