Abstract
The configurations and binding energies of interstitial-solute complexes with undersized solutes are calculated using the molecular-dynamic technique. The mixed-dumb-bell is most stable for a single interstitial-solute complex. The migration of a solute in the mixed dumb-bell is discussed. When the absolute value of misfit factor of a solute is very large, a substantial solute is dissociated to a solute interstitial and a vacancy because of being energetically favourable. The appearance is similar to the diffusion mechanisms of the small-sized solute in Pb.
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