Paper Title:
First Principles Study on the TiN/BN/TiN Interface
  Abstract

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
Chapter
Chapter 4: Surface, Subsurface, and Interface Phenomena
Edited by
Wu Fan
Pages
1020-1023
DOI
10.4028/www.scientific.net/AMM.110-116.1020
Citation
B. J. Wang, F. Xie, K. J. Jia, "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
$32.00
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