First Principles Study on Shear Deformation of TIN/BN/TIN Interface

Abstract:

To obtain a view of the shear deformation mechanism, ideal shear strength and hardness in superhard nanocomposites nc-TiN/a-BN films, we studied, using the first-principles calculation method, the shear stress-strain response of a theoretical interfacial system TiN/BN/TiN, which consists of two TiN slabs and one sandwiched BN monolayer. The shear process showed that decohesion happens at the Ti-N interplanar bonds next to the interface. The calculated results show that the TiN/BN/TiN interface has the hardness that can match the TiN/SiN/TiN syatem.

• Periodical: Advanced Materials Research (Volumes 335-336)
• Pages: 502-505
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.335-336.502
• Online since: September 2011
• Authors: Wei Gao, Fei Xie, Ke Jun Jia
• Keywords: Film, First-Principle, Interface, Nanocomposite

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