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arXiv · 1805.00618

Effect of Samarium doping on the nucleation of fcc-Aluminum in undercooled liquids

Yang Sun·Feng Zhang·Lin Yang·Zhuo Ye·Huajing Song·Mikhail I. Mendelev·Cai-Zhuang Wang·Kai-Ming Ho
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Abstract

The effect of Sm doping on the fcc-Al nucleation was investigated in Al-Sm liquids with low Sm concentrations (xSm) 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 xSm (xSm=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 a minor contribution from suppression of the attachment to the nucleus caused by Sm doping.

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Yang Sun, Feng Zhang, Lin Yang, Zhuo Ye, Huajing Song, Mikhail I. Mendelev, Cai-Zhuang Wang, Kai-Ming Ho. 2018-05-02. Effect of Samarium doping on the nucleation of fcc-Aluminum in undercooled liquids. https://doi.org/10.1016/j.scriptamat.2018.06.001

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