科研之友
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摘要
Based on experiments and first-principles calculations, a ternary Ni-Al-W embedded-atom-method (EAM) potential is constructed for the Ni-based single crystal superalloys. The potential predicts that W atoms do not tend to form clusters in gamma(Ni), which is consistent with experiments. The impurity diffusion of W in gamma(Ni) is investigated using the five-frequency model. The diffusion coefficients and the diffusion activation energy of W are in reasonable agreement with the data in literatures. By W doping, the lattice misfit between the two phases decreases and the elastic constants of gamma'(Ni3Al) increase. As for alloyed elements Co, Re and W, the pinning effect of solute atom on the gamma(Ni)/gamma'(Ni3Al) misfit dislocation increases with the increasing of the atomic radius.
