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 |
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文章编号 | 108632 |
期刊 | Intermetallics |
卷 | 178 |
DOI | |
出版状态 | 已出版 - 3月 2025 |