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The Modified Embedded Atom Method (MEAM) potential parameters have been employed to calculate the unrelaxed divacancy formation energy, binding energy, and surface energies for low-index planes in body-centered cubic (bcc) alkali metals. The calculated divacancy binding energies and vacancy formation energies show good agreement with experimental data and other available computational results.
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Uniyal et al. (2025) studied this question.
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