Formation mechanism of W2Zr intermetallic compound by solid-phase interdiffusion

Tianyu Liu, Xingwei Liu*, Ling Wang, Kaihua Wang, Shun Li, Fawei Tang, Dongdong Shan, Jinxu Liu*

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

摘要

The interdiffusion behavior between W and Zr, preferred orientation of the W2Zr intermetallic as well as the underling mechanism were investigated. The W-Zr diffusion couple was annealing at 1300°C, 1400°C and 1500°C and then processing slow cooling and quenching respectively. The results indicated that the W2Zr layer primarily grows toward the W side along the initial W/Zr interface, exhibiting a <111> preferred orientation. The growth direction is influenced by both the elemental concentration and atomic diffusion rates of W and Zr in the W2Zr lattice. Zr diffusion towards W facilitates the W2Zr formation as requiring the concentration condition of the intermetallic. Molecular dynamics simulations reveal that Zr diffuses faster than W in the W2Zr lattice, further driving the W2Zr layer growth towards W. Additionally, first-principle calculations of the diffusion energy barriers for the potential diffusion paths of W and Zr atoms in the W2Zr lattice indicate that W atoms migrate along the <110> direction in the W2Zr lattice, while Zr atoms transition along <111>. Consequently, Zr with a higher diffusion rate dominates the growth direction of W2Zr, leading to a <111> preferred orientation. This study provides a novel perspective for analyzing the growth direction and the preferential orientation of intermetallic compound layers in reaction-diffusion systems.

源语言英语
文章编号108632
期刊Intermetallics
178
DOI
出版状态已出版 - 3月 2025

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Liu, T., Liu, X., Wang, L., Wang, K., Li, S., Tang, F., Shan, D., & Liu, J. (2025). Formation mechanism of W2Zr intermetallic compound by solid-phase interdiffusion. Intermetallics, 178, 文章 108632. https://doi.org/10.1016/j.intermet.2024.108632