An anti Si/Zr-poisoning strategy of Al grain refinement by the evolving effect of doped complex

材料科学 成核 兴奋剂 密度泛函理论 限制 晶粒生长 粒度 结晶学 冶金 热力学 计算化学 光电子学 机械工程 物理 工程类 化学
作者
Daoxiu Li,Xirui Yan,Yong Fan,Guiliang Liu,Jinfeng Nie,Xiangfa Liu,Sida Liu
出处
期刊:Acta Materialia [Elsevier BV]
卷期号:249: 118812-118812 被引量:56
标识
DOI:10.1016/j.actamat.2023.118812
摘要

The issue of how to avoid the poisoning phenomenon of α-Al grain refinement caused by special elements (such as Si and Zr) has always been the focus of research attention. In this work, the anti Si/Zr-poisoning of α-Al grain refinement was achieved by the evolving effect of a doped TCB complex, which is constituted by B-doped TiC (B-TiC) and C-doped TiB2 (C-TiB2). The results indicate that B-TiC in the TCB complex can release Ti atoms in Al melts, and the unique C-TiB2 particles have a reproduction subsequently. The released Ti atoms by B-TiC during the evolution process act as the solute, limiting the grain growth and assisting in the refinement of the α-Al grains. Furthermore, the density functional theory calculations show that the C atoms in the interior of C-TiB2 tend to enhance the adhesion energy of the C-TiB2/Al interface, improving the nucleation potency for α-Al on C-TiB2 in the Al-Si alloys or Zr-containing Al alloys. The average grain sizes of Al-7Si-0.4Mg and Al-5Cu-0.15Zr with inoculated TCB complex can be refined to 84 ± 7 μm and 63 ± 4 μm from 784 ± 58 μm and 402 ± 32 μm, respectively. Thus, the anti Si/Zr-poisoning of Al grain refinement is synergistically realized based on the dynamically evolving TCB complex. These findings provide a new direction for the grain refinement of the Al-Si alloys or Zr-containing Al alloys, as well as guidance on further research and development of grain refiners.
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