| DOI | Resolve DOI: https://doi.org/10.1016/j.msea.2003.09.009 |
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| Author | Search for: Chen, K.1; Search for: Zhao, L. R.1; Search for: Tse, John S.2 |
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| Affiliation | - National Research Council of Canada. NRC Institute for Aerospace Research
- National Research Council of Canada. NRC Steacie Institute for Molecular Sciences
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| Format | Text, Article |
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| Subject | First principles; Interface; Strengthening; Ni–base superalloys |
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| Abstract | 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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| Publication date | 2003-10-24 |
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| In | |
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| Language | English |
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| NPARC number | 12339051 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | fe0d3154-fa64-40ea-b76b-f5e15b709740 |
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| Record created | 2009-09-11 |
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| Record modified | 2020-04-02 |
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