First Principles Study on Shear Deformation of TIN/BN/TIN Interface
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.
Yun-Hae Kim, Prasad Yarlagadda, Xiaodong Zhang and Zhijiu Ai
W. Gao et al., "First Principles Study on Shear Deformation of TIN/BN/TIN Interface", Advanced Materials Research, Vols. 335-336, pp. 502-505, 2011