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Modification mechanisms of hypereutectic Al-Fe alloys treated by Sm/Yb addition: Experiments and first-principles calculations.

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Title: Modification mechanisms of hypereutectic Al-Fe alloys treated by Sm/Yb addition: Experiments and first-principles calculations.
Authors: Mo, Liling1 (AUTHOR), Jiang, Minhao1 (AUTHOR), Zhou, Xiong1 (AUTHOR), Zhao, Yu-Jun1,2 (AUTHOR) zhaoyj@scut.edu.cn, Du, Jun1 (AUTHOR) tandujun@sina.com
Source: Journal of Alloys & Compounds. Jul2023, Vol. 948, pN.PAG-N.PAG. 1p.
Subjects: Hypereutectic alloys, Rare earth metals, Electron scattering, Thermal expansion, Thermal conductivity, Electric conductivity
Abstract: The effects of Sm/Yb on the microstructure, electrical conductivity (EC), thermal conductivity (TC) and thermal expansion properties of hypereutectic Al-Fe alloys were investigated by combining experiments and first-principles calculations. The microstructure evolution shows that the addition of Sm/Yb can effectively modify the primary Al 13 Fe 4 phase, observing the best modification effect with 0.5 % Sm and 0.3 % Yb addition. Besides, adding Sm/Yb can simultaneously improve the EC, TC and thermal expansion performance of hypereutectic Al-Fe alloys. The improvement of thermal-physical properties is mainly due to the fact that the coarse primary Al 13 Fe 4 intermetallic phase is modified to fine and star-like particles, which reduces the scattering of electrons and phonons. The first-principles calculation results show that both Sm/Yb can be stably adsorbed on the P1 terminal Al 13 Fe 4 (010) surface, then inhibits the preferential growth of primary Al 13 Fe 4 phase. The theoretical calculations and experimental results confirm that adsorption and constitutional undercooling are the main reasons for Sm/Yb modification. This study shows that rare earth elements modification is an effective method to control the morphology of primary phase and improve the thermal-physical properties of hypereutectic Al-Fe alloys. [Display omitted] • Sm and Yb can effectively modified the primary Al 13 Fe 4 in hypereutectic Al-Fe alloys. • Sm/Yb modification realized the synchronous improvement of microstructure and thermal-physical properties of Al-Fe alloys. • The enrichment of Sm and Yb on the star-like Al 13 Fe 4 surface in modified Al-7Fe alloys is observed. • Adsorption and constitutional undercooling are more likely to be main reasons for the Sm/Yb modification. [ABSTRACT FROM AUTHOR]
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Database: Engineering Source
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Abstract:The effects of Sm/Yb on the microstructure, electrical conductivity (EC), thermal conductivity (TC) and thermal expansion properties of hypereutectic Al-Fe alloys were investigated by combining experiments and first-principles calculations. The microstructure evolution shows that the addition of Sm/Yb can effectively modify the primary Al 13 Fe 4 phase, observing the best modification effect with 0.5 % Sm and 0.3 % Yb addition. Besides, adding Sm/Yb can simultaneously improve the EC, TC and thermal expansion performance of hypereutectic Al-Fe alloys. The improvement of thermal-physical properties is mainly due to the fact that the coarse primary Al 13 Fe 4 intermetallic phase is modified to fine and star-like particles, which reduces the scattering of electrons and phonons. The first-principles calculation results show that both Sm/Yb can be stably adsorbed on the P1 terminal Al 13 Fe 4 (010) surface, then inhibits the preferential growth of primary Al 13 Fe 4 phase. The theoretical calculations and experimental results confirm that adsorption and constitutional undercooling are the main reasons for Sm/Yb modification. This study shows that rare earth elements modification is an effective method to control the morphology of primary phase and improve the thermal-physical properties of hypereutectic Al-Fe alloys. [Display omitted] • Sm and Yb can effectively modified the primary Al 13 Fe 4 in hypereutectic Al-Fe alloys. • Sm/Yb modification realized the synchronous improvement of microstructure and thermal-physical properties of Al-Fe alloys. • The enrichment of Sm and Yb on the star-like Al 13 Fe 4 surface in modified Al-7Fe alloys is observed. • Adsorption and constitutional undercooling are more likely to be main reasons for the Sm/Yb modification. [ABSTRACT FROM AUTHOR]
ISSN:09258388
DOI:10.1016/j.jallcom.2023.169786