Journal
JOURNAL OF NUCLEAR MATERIALS
Volume 583, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.jnucmat.2023.154556
Keywords
Molecular dynamics simulation; Irradiation damage; Liquid metal corrosion; Solid-liquid interface
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The interaction between liquid Pb and irradiation defects at the structural materials/liquid metal interface plays a crucial role in understanding the irradiation-enhanced corrosion of structural materials in nuclear systems. Molecular dynamics simulations were employed to investigate the primary damage on iron surfaces and the characteristics of the irradiated Fe/Pb solid-liquid interfaces. It was found that vacancy clusters are dominant on the surfaces, with vacancy loops appearing more frequently under Fe(110) surface compared to Fe(100) surface under Fe particle irradiation. Liquid Pb can facilitate the migration of irradiation damages, particularly vacancies, to the surface, which in turn promotes the corrosion of Pb on the Fe surface by forming bonds with Pb atoms. The transport properties of Pb atoms near the interface exhibit anisotropy due to the different structural symmetry of the Fe/Pb interfaces.
The interaction between liquid Pb and irradiation defects at structural materials/liquid metal interface is fundamental to understand the irradiation-enhanced corrosion of structure materials in nuclear system. The primary damage to iron surfaces and the density profiles, lateral structure, and interfacial diffusion profiles of the irradiated Fe/Pb solid-liquid interfaces are investigated using the molecular dynamics method. We find that the vacancy clusters predominate on the surfaces, and the vacancy loops emerge under Fe(110) surface with higher probability compared with Fe(100) surface under Fe particle irradiation. The liquid Pb could accelerate the migration of irradiation damages, mainly the vacancies, to the surface. Those vacancies could promote the corrosion of Pb on the Fe surface in turn by combining with Pb atoms. The Pb atoms near the interface exhibit a two-dimensional diffusion mechanism and anisotropy in the transport properties due to the different structural symmetry of the Fe/Pb interfaces.
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