First-principles calculations and phenomenological modeling of lattice misfit in Ni-base superalloys
نویسندگان
چکیده
′ An integrated computational approach is proposed for evaluating the lattice misfit between and in Ni-base superalloys by combining rst-principles calculations, existing experimental data and phenomenological modeling. In particular, the lattice misfits in Ni–Al and Ni–Al–Mo lloys were studied. This approach is validated by comparing the calculated lattice misfit with available experimental measurements as well as by omparing the predicted ′ precipitate morphologies from phase-field simulations with experimental observations. 2006 Elsevier B.V. All rights reserved.
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