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The interaction of impurity atoms of light elements C, N, O with vacancies and
vacancy clusters in fcc metals Ni, Ag and Al was studied by the molecular dynamics method.
The binding energies of impurity atoms with vacancies, divacancies and stacking fault
tetrahedron (SFT) are calculated. It is shown that the impurity atom in a vacancy is not
located at its center, but is displaced relative to it in the direction of the <100> type. The
changes in the activation energy of vacancy migration upon interaction with an impurity atom
are calculated. When studying the interaction of impurity atoms with a SFT, it was found that
the binding energy of C, N and O atoms for all the considered metals is higher with the SFT
edge (i.e. with partial dislocation) than with the top of the SFT.
Keywords: molecular dynamics, metal, vacancy, impurity, binding energy, divacancy, vacancy cluster, stacking fault tetrahedron |
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