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Effect of samarium doping on the nucleation of fcc-aluminum in undercooled liquids

TitleEffect of samarium doping on the nucleation of fcc-aluminum in undercooled liquids
Publication TypeJournal Article
Year of Publication2018
AuthorsSun, Y, Zhang, F, Yang, L, Ye, Z, Song, HJ, Mendelev, MI, Wang, CZ, Ho, KM
JournalScripta Materialia
Date Published09
Type of ArticleArticle
ISBN Number1359-6462
Accession NumberWOS:000440775000042
Keywords&, al-sm, Al-Sm system, alloys, bulk metallic glasses, colloids, crystal nucleation, crystal-nucleation, hard-sphere, implementing molecular-dynamics, liquid and glass, Materials Science, metallic, Metallurgical Engineering, molecular dynamics simulation, order, packing, phase transformation, prediction, solidification, Technology - Other Topics

The effect of Sm doping on the fcc-Al nucleation was investigated in Al-Sm liquids with low Sm concentrations (x(sm)) with molecular dynamics simulations. The nucleation in the moderately undercooled liquid is achieved by the recently developed persistent-embryo method. Systematically computing the nucleation rate with different x(sm) (x(sm) = 0%, 1%, 2%, 3%, 5%) at 700 K, we found Sm dopant reduces the nucleation rate by up to 25 orders of magnitudes with only 5% doping concentration. This effect is mostly associated with the increase in the free energy barrier with minor contribution from suppression of the attachment to the nucleus caused by Sm doping. (C) 2018 Acta Materialia Inc Published by Elsevier Ltd. All rights reserved.

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Structures and Dynamics

Alternate JournalScr. Mater.