Changes in the Potential and Vibrational Energies upon the Formation of Vacancies in the Oxygen-Alloyed Cores of Crystallite-Conjugation Regions of Polycrystalline Cr, Cu, and Ir

The changes in the potential and vibrational energies upon the formation of vacancies in the oxygen-alloyed (OA) cores of crystallite-conjugation regions (CCRs) in polycrystals of d transition metals Cr, Cu, and Ir have been determined. The potential energy increases upon the formation of vacancies (upon the formation of complexes of vacancies with oxygen atoms) in the OA cores of CCRs in the polycrystalline Cr, Cu, and Ir. However, the vibrational energy decreases upon the formation of vacancies in the OA cores of CCRs in these polycrystals, as in the OA cores of CCRs in polycrystals of the 4d and 5d transition bcc metals Mo, Ta, and W. The volume of the OA cores of CCRs in polycrystals of Cr, Cu, and Ir decreases upon the formation of vacancies. The changes in the interatomic interactions and dynamic properties in the regions of vacancy localization in the OA cores of CCRs coincide with analogous changes introduced into the lattices of metals by split interstitials.