Abstract
Entropy changes related to point defects within the high-temperature limit have been studied, on the basis of exact frequency spectra obtained by computer calculations, for linear and square lattices in the light of lattice vibration in the harmonic nearest-neighbourforce approximation.
The binding entropy of a vacancy-solute pair is independent of the solute mass but depends on the force-constant around the defect, whereas the entropy change due to substitution by a solute atom is dependent on the solute mass as well as the force constant. For square lattices, the displacement amplitude of atoms has been shown in connection with the localized or resonance mode, which may have implications for solute diffusion.
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References
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Nakamura, F., Takamura, J. & Chikasaki, M. The entropy of binding between vacancies and solute atoms in harmonic lattices-computer experiments in linear and square lattices. J Mater Sci 8, 385–396 (1973). https://doi.org/10.1007/BF00550160
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DOI: https://doi.org/10.1007/BF00550160