| DOI | Trouver le DOI : https://doi.org/10.1016/j.msea.2003.09.009 |
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| Auteur | Rechercher : Chen, K.1; Rechercher : Zhao, L. R.1; Rechercher : Tse, John S.2 |
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| Affiliation | - Conseil national de recherches Canada. Institut de recherche aérospatiale du CNRC
- Conseil national de recherches Canada. Institut Steacie des sciences moléculaires du CNRC
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| Format | Texte, Article |
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| Sujet | First principles; Interface; Strengthening; Ni–base superalloys |
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| Résumé | The strengthening effects induced by alloying elements on γ/γ′ interface in single crystal (SC) Ni–base superalloys have been investigated using first-principles quantum mechanics DMol3 calculations. The charge density difference indicates that a strong anisotropic bonding forms between the first-nearest alloying metal and Ni atoms due to alloying metal-d/Ni-d hybridization. The bond orders (BO) for a local environmental cluster are proposed and calculated to describe the cohesion and shear strength of γ/γ′ interface, respectively. Larger bond-order values represent stronger interfacial cohesion and shear strength. Our calculations show that alloying elements significantly increase the net vertical and horizontal bond-order values, with Mo yielding the most effective cohesive strength, while W yielding the most effective shear strength. A complete order of strengthening effects is presented for alloying elements that are typically added in SC superalloys. |
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| Date de publication | 2003-10-24 |
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| Dans | |
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| Langue | anglais |
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| Numéro NPARC | 12339051 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | fe0d3154-fa64-40ea-b76b-f5e15b709740 |
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| Enregistrement créé | 2009-09-11 |
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| Enregistrement modifié | 2020-04-02 |
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