First-principles quantum molecular dynamics study of Ti <sub> <i>x</i> </sub> Zr <sub> 1− <i>x</i> </sub> N(111)/SiN <sub> <i>y</i> </sub> heterostructures and comparison with experimental results
В. И. ИващенкоInstitute of Problems of Material Science, NAS of Ukraine, Krzhyzhanovsky Street 3, 03142, Kyiv, UkraineS. Vepřek,A.D. PogrebnjakSumy State University, Rymsky-Korsakov Street 2, 40007, Sumy, UkraineBogdan PostolnyiSumy State University, Rymsky-Korsakov Street 2, 40007, Sumy, Ukraine
2014en
ABI
Аннотация
systems. During annealing, the hardness of the best series samples was increased from (39.6 ± 1.4) to 53.6 GPa, which seemed to indicate that a spinodal segregation along grain interfaces was finished. A maximum hardness of 40.8 GPa before and 55 GPa after annealing in air at 500 °C was observed for coatings with a concentration of elements of Si≽ (7-8) at.%, Ti ≽ 22 at.% and Zr ⩽ 70 at.%.
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