Migration behavior of tellurium in bcc iron against typical alloying elements: A first-principles study

Zheng-De Zhang,Cui-Lan Ren,Meng-Lu Tan,Yu-Qi Yang,Ya-Ru Yin,Chang-Ying Wang,Han Han,Ping Huai

Computational Materials Science（2020）

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摘要

•Migration of fission product tellurium in bcc iron was studied by first-principles method.•The lattice diffusions of tellurium are affected due to their strong binding with vacancy.•The diffusion coefficients of tellurium are higher when compared to other alloying elements.

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关键词

Fission products,Tellurium diffusion,Iron-based alloy,First-principles method,Nine-frequency model,Diffusion coefficients

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