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• W4312461954 abstract "A short review of studies on the structure, stability and properties of the transition metal carbides and nitrides/(SiC, SiN, AIN, BN) heterostructures that model corresponding nanocomposite and nanolayered coatings was done. For the first time, the stability of the BN, BC, AIN and SiC interfaces in the transition metal diborides-based heterostructures were analyzed using first-principles molecular dynamics simulations. It was shown that the initial hetero-epitaxial BN, AIN and SiC interfaces with the graphene-like structure in the heterostructures were dynamically unstable due to the large mismatch in the lattice parameters of the diborides and non-metal interfacial materials. As a result, the amorphous interfacial BN layer and distorted rock-salt-like AIN and SiC interfaces formed after relaxation or molecular dynamics simulations. The BC interface was found to have a hetero-epitaxial structure up to 1400 K. The suggested criterion of interface stability enabled one to predict temperature-induced structural transformations of the non-metal interfacial layers in 3d, 4d, and 5d transition metal diboride-based heterostructures." @default.
• W4312461954 created "2023-01-04" @default.
• W4312461954 creator A5075712756 @default.
• W4312461954 date "2022-09-11" @default.
• W4312461954 modified "2023-09-23" @default.
• W4312461954 title "Non-metal Interfaces in Superhard Nanocomposite Coatings: a First-principles Study" @default.
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• W4312461954 doi "https://doi.org/10.1109/nap55339.2022.9934529" @default.
• W4312461954 hasPublicationYear "2022" @default.
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