Alloying effects on elastic properties of TiN-based nitrides

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DOIResolve DOI: http://doi.org/10.1088/0022-3727/36/21/021
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TypeArticle
Journal titleJournal of Physics D: Applied Physics
ISSN0022-3727
Volume36
Issue21
Pages27252729; # of pages: 5
AbstractThe effects of alloying (Cr, Zr, Nb, V, W, Mo and Al) on the trend of elastic properties of TiN-based nitrides have been investigated using ab initio density functional theory calculations within the generalized gradient approximation. The calculated elastic coefficients of pure TiN are in good agreement with experimental results and compare favourably with other theoretical calculations. The Cauchy pressure (C12-C44) and the ratio G/B of shear modulus (G) and bulk modulus (B) are used to assess the brittle/ductile behaviour of TiN accompanying alloying additions. The difference between C44 and G/B or Cauchy pressure in evaluating the brittle/ductile behaviour of nitrides is identified. The results demonstrate that alloying with Mo and W can reduce G/B to near 0.5 and reverse Cauchy pressure from negative values to positive values. These results indicate that Mo and W could improve the ductility of TiN, with Mo achieving the best effect.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada; NRC Institute for Aerospace Research; NRC Steacie Institute for Molecular Sciences
Peer reviewedNo
Identifier10106194
NPARC number12339113
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Record identifier162d0077-b973-4924-8171-de627a27a32c
Record created2009-09-11
Record modified2016-05-09
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