First Principles Study on the TiN/BN/TiN Interface

Abstract:

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To obtain a understanding of the deform mechanism and ideal strength in superhard nanocomposites nc-TiN/a-BN. we studied, using the first-principles calculation method, the geometrical stucture, the electronic density and the tensile stress-strain response of a theoretical interfacial system TiN/BN/TiN, which consists of two TiN slabs and one sandwiched BN monolayer. The calculated results show that Friedel oscillations weaken the Ti-N interplanar bonds next to the interface, where decohesion happens. A comparison with the TiN/SiN/TiN interface was done, showing that the orientation has the huger influence on the tensile strength of TiN/BN/TiN interface.

Info:

Periodical:

Edited by:

Wu Fan

Pages:

1020-1023

DOI:

10.4028/www.scientific.net/AMM.110-116.1020

Citation:

B. J. Wang et al., "First Principles Study on the TiN/BN/TiN Interface", Applied Mechanics and Materials, Vols. 110-116, pp. 1020-1023, 2012

Online since:

October 2011

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Price:

$35.00

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