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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...
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