Crystals, Journal Year: 2024, Volume and Issue: 15(1), P. 37 - 37

Published: Dec. 30, 2024

Nowadays, the application of protective multicomponent coatings based on hard metal nitrides is increasingly used to increase resistance structures and tools wear, corrosion, oxidation. In present work, system Ti-Al-Ta-Si-N studied, which has high hardness crack combined with thermal stability oxidation resistance. The process formation nanocrystalline structure coating during its deposition materials plays a key role in optimization these properties. formed due Si impurity, poorly soluble Ti1−x−yAlxTayN B1-TiN segregates mainly along grain boundaries, forming boundary amorphous phases SizN type. order find optimal composition improved physical mechanical properties, it necessary understand peculiarities interaction impurity surface phase presence Al Ta substitutional impurities. help first-principles calculations electronic atomic (001) (111) surfaces adsorbed atom interatomic bond study apparatus calculation crystal orbital Hamilton population index, nature bonds between N, Ti, Al, atoms been studied. It was found that binding energy can be both higher lower than bonding binary TiN compound depending position substitution layers. ionic–covalent nature. shown Si-Ta highest degree covalency strength, Si-Al predominantly ionic most cases considered weaker Si-Ti Si-N bonds. Impurity or have very little effect local silicon atoms.

Language: Английский