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Computational evaluation of adhesion and mechanical properties of nanolayered erosion-resistant coatings for gas turbines / Mariusz Bielawski in Transactions of the ASME . Journal of engineering for gas turbines and power, Vol. 133 N° 4 (Avril 2011) 

Public ISBD [article]  in Transactions of the ASME . Journal of engineering for gas turbines and power > Vol. 133 N° 4 (Avril 2011) . - 07 p. Titre : Computational evaluation of adhesion and mechanical properties of nanolayered erosion-resistant coatings for gas turbines Type de document : texte imprimé Auteurs : Mariusz Bielawski, Auteur ; Kuiying Chen, Auteur Année de publication : 2012 Article en page(s) : 07 p. Note générale : Génie Mécanique Langues : Anglais (eng) Mots-clés : Adhesion  Brittleness  Density  functional  theory  Elastic  constants  Fracture  mechanics  Fracture  toughness  Gas  turbines  Protective  coatings  Shear  modulus  Transition  metals  Young's  modulus Index. décimale : 620.1 Essais des matériaux. Défauts des matériaux. Protection des matériaux Résumé : 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 modulus B, shear modulus G, and Young's modulus 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 behavior for TiN, ZrN, and HfN and more metallic behavior for CrN and VN. The fracture toughness KIC and interfacial fracture toughness KICInt for bilayer 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. DEWEY : 620.1 ISSN : 0742-4795 En ligne : http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JETPEZ00013 [...] [article] Computational evaluation of adhesion and mechanical properties of nanolayered erosion-resistant coatings for gas turbines [texte imprimé] / Mariusz Bielawski, Auteur ; Kuiying Chen, Auteur . - 2012 . - 07 p. Génie Mécanique Langues : Anglais (eng) in Transactions of the ASME . Journal of engineering for gas turbines and power > Vol. 133 N° 4 (Avril 2011) . - 07 p. Mots-clés : Adhesion  Brittleness  Density  functional  theory  Elastic  constants  Fracture  mechanics  Fracture  toughness  Gas  turbines  Protective  coatings  Shear  modulus  Transition  metals  Young's  modulus Index. décimale : 620.1 Essais des matériaux. Défauts des matériaux. Protection des matériaux Résumé : 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 modulus B, shear modulus G, and Young's modulus 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 behavior for TiN, ZrN, and HfN and more metallic behavior for CrN and VN. The fracture toughness KIC and interfacial fracture toughness KICInt for bilayer 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. DEWEY : 620.1 ISSN : 0742-4795 En ligne : http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JETPEZ00013 [...]