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- W2052578498 abstract "A method previously developed for calculating the core configurations of simple dislocations has been extended to calculate dislocation-point defect interactions. Our lattice model represents the crystal by ions with integer charges interacting by Coulomb and short-range central potentials. The Coulomb potential for the dislocated lattice is computed using the original method of Madelung for calculating the potential of periodic strings of ions. Using the shell model, we have extended the method beyond the simplest case of unpolarisable ions (point-ion model) to allow a proper description of the ion polarization. The substantial calculation required to relax the dislo- cated lattice when a vacancy or interstitial is introduced is reduced by using a harmonic boundary region in which the ion positions are determined by assuming that this region acts as a dielectric continuum. We have so far computed the binding energy of both anion and cation vacancies at various sites in the core. The interaction turns out to be attractive or re~ulsive at different sites and is of order" @default.
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- W2052578498 date "1976-12-01" @default.
- W2052578498 modified "2023-10-16" @default.
- W2052578498 title "ENERGIES OF FORMATION OF POINT DEFECTS IN PERFECT AND DISLOCATED IONIC CRYSTALS" @default.
- W2052578498 doi "https://doi.org/10.1051/jphyscol:19767130" @default.
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