Self-Diffusion in Bulk Lithium and Sodium and Its Impact on the Whisker Growth during Electrodepositionстатья
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Дата последнего поиска статьи во внешних источниках: 23 апреля 2025 г.
Аннотация:Here we propose computational insight into mass transport in bulk polycrystalline lithium and sodium in relation to the whisker growth problem. Different mechanisms of self-diffusion were evaluated at both atomistic and macroscopic levels based on the results of the molecular dynamics simulations. It was found that in sodium the vacancy mechanism of self-diffusion prevails due to abundance of this type of defects. In contrast, in lithium, vacancy diffusion makes a smaller contribution than the interstitials diffusion, while the mass transfer along the grain boundaries is predicted to have major impact. Overall self-diffusion in sodium is approximately three orders of magnitude faster than in lithium. Therefore, a reasonable approach to solving the lithium whisker problem would be to promote the self-diffusion, particularly by reducing the average grain size. For sodium mass transport seems to be not so critical factor.