A First-Principles Study Of Self-Diffusion Coefficients Of Fcc Ni
Diffusion coefficients were estimated quantitatively from the migration energy calculated by the nudged elastic band method and the vibrational energy at every stable and. Diffusion coefficients were estimated quantitatively from the migration energy derived by the nudged elastic band method, and phonon calculations including the vibrations of all atoms at every stable and metastable site.
Two magnetic settings, ferromagnetic and. Diffusion coefficients were estimated quantitatively from the migration energy derived by the nudged elastic band method, and phonon calculations including the vibrations of all atoms at every stable and metastable site.
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