Technische Universität Braunschweig
We use density functional theory calculations at 0 K to study the influence of alloying elements on the interfacial energy of the γ’’-phase with a coherent interface orientation. Both possible coherent γ/γ’’ interfaces, namely (001)γ∥\{001\}γ’’ and [100]γ∥⟨100⟩γ′′, are investigated. By replacing a Nb atom by alloying elements and transferring these atoms from the bulk of γ’’ phase to the interface, we calculate the influence of these elements on the interface energy. A simple model that uses the change in volume caused by the alloying element and its chemical binding energy in the different phases is presented.
Abstract
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