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Computational Evaluation of Adhesion and Mechanical Properties of Nanolayered Erosion-Resistant Coatings for Gas Turbines

[+] Author Affiliations
Mariusz Bielawski, Kuiying Chen

National Research Council Canada, Ottawa, ON, Canada

Paper No. GT2010-22368, pp. 939-947; 9 pages
  • ASME Turbo Expo 2010: Power for Land, Sea, and Air
  • Volume 1: Aircraft Engine; Ceramics; Coal, Biomass and Alternative Fuels; Education; Electric Power; Manufacturing Materials and Metallurgy
  • Glasgow, UK, June 14–18, 2010
  • Conference Sponsors: International Gas Turbine Institute
  • ISBN: 978-0-7918-4396-3 | eISBN: 978-0-7918-3872-3
  • Copyright © 2010 by Her Majesty the Queen in Right of Canada


A computational method to evaluate fracture toughness of prospective erosion-resistant coatings using a combination of first-principles density functional theory (DFT) calculations and fracture mechanics is proposed. Elastic coefficients C11 , C12 and C44 , the ideal work of adhesion Wad , bulk moduls B, shear moduls G, and Young’s moduls E of transition metal nitrides with a cubic structure such as TiN, CrN, ZrN, VN and HfN are calculated. Both the G/B ratio and Cauchy pressure C12 -C44 indicate brittle behaviour for TiN, ZrN and HfN and more metallic behaviour for CrN and VN. The fracture toughness KIC and interfacial fracture toughness KICInt for bi-layer combinations of these five nitrides is calculated along the [100] and [110] directions. The largest KIC value is obtained for HfN (2.14 MPa·m1/2 ) in (100) orientation and for TiN (2.16 MPa·m1/2 ) in (110) orientation. The lowest fracture toughness, in both orientations, is found for CrN. Among ten coherent interfaces of the five investigated nitrides the largest value of interfacial fracture toughness, KICInt = 3.24 MPa·m1/2 , is recorded for the HfN/TiN interface in the (110) orientation.

Copyright © 2010 by Her Majesty the Queen in Right of Canada



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