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This work reports the transformation of C15 Laves phase interstitial clusters to prismatic loops in body-centered cubic iron. Molecular dynamics simulations and elasticity analysis show that, within a certain size range, C15 clusters are more stable than loops, but the relative stabilities are reversed beyond this range. C15 clusters can consistently grow by absorbing interstitials at small sizes...
We examine the role that the atomic structure, both the terminating plane and the stoichiometry, of Σ3 twin boundaries in SrTiO 3 has on the interaction of point defects using an interatomic potential. Both factors strongly influence defect interactions with the boundary, with interactions strongest for the non-stoichiometric boundary. These results are confirmed with density functional theory...
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