Entropy matters in grain boundary segregation

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Publikace nespadá pod Lékařskou fakultu, ale pod Přírodovědeckou fakultu. Oficiální stránka publikace je na webu muni.cz.

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LEJČEK Pavel HOFMANN S. VŠIANSKÁ Monika ŠOB Mojmír

Rok publikování 2021
Druh Článek v odborném periodiku
Časopis / Zdroj Acta Materialia
Fakulta / Pracoviště MU

Přírodovědecká fakulta

Citace
www https://doi.org/10.1016/j.actamat.2020.116597
Doi http://dx.doi.org/10.1016/j.actamat.2020.116597
Klíčová slova Segregation; Grain boundaries; Entropy; Compensation effect
Popis Starting with a fairly comprehensive database on experimental results on enthalpy and entropy of grain boundary segregation, the detrimental influence of ignoring the segregation entropy term is shown for the latter as well as for additional examples of intergranular cohesion, the stability of nanograin size, and the segregation enthalpy-segregation entropy compensation effect. Furthermore, the decisive role of segregation entropy in the transition from substitutional to interstitial segregation with increasing temperature, and the newly explored effect of entropy-dominated grain boundary segregation are presented. Despite the direct evidence of the importance of entropy in grain boundary segregation, its contribution has been frequently neglected in the literature. One of the possible reasons is that the routines for a theoretical determination of the segregation entropy are still missing. We hope that, in the near future, progress in advanced theoretical methods will substantially improve our present understanding of grain boundary segregation.
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