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Dft Dilute Solute Diffusion Database In Mg

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Zenodo2015-07-30 更新2026-04-07 收录
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This is a database of first-principles results for dilute solute diffusion in HCP magnesium. The diffusivities were computed using the eight-frequency HCP diffusion model, where all the frequencies have been calculated using density functional theory. All eight frequencies for all solutes are reported as well as the diffusion coefficient (D0) and diffusion activation energy (Q).

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2015-07-30
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