Defect Calculations for FCC and BCC Metals
Interatomic potentials employing non-central forces have been developed for fcc metals and used to determine the minimum energy configurations of interstitial defects in these materials. In the bcc metals, central potentials were developed and used to calculate vacancy migration energies and divacancy binding energies. Phonon dispersion curves were also calculated using these models.
KeywordsElastic Constant Interatomic Potential Defect Calculation Effective Valence Solid State Communication
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