期刊
JOURNAL OF NUCLEAR MATERIALS
卷 573, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.jnucmat.2022.154123
关键词
Aluminum; Helium; Bubbles; Diffusion; Surface defects; Molecular dynamics simulation
The influence of helium pressure on the diffusion mechanisms of He-filled nanobubbles in fcc Al is investigated using classical molecular dynamics. It is found that at pressures below 20 kbar, gas suppresses self-diffusion by affecting the concentration of adatoms. However, at higher pressures, bubble diffusion coefficients increase due to the emission of self-interstitial atoms. The formation of dislocation loops around the bubble leads to a significant drop in the bubble diffusion coefficient at higher gas pressures. The effect of surface self-diffusion suppression cannot explain the experimental data, while the formation of dislocation loops can.
The influence of helium pressure on the mechanisms of diffusion of the He-filled nanobubbles in fcc Al is investigated by the classical molecular dynamics. It is shown that at pressures < 20 kbar gas sup-presses self-diffusion, while the concentration of adatoms, rather than their mobility, plays a key role. However, as the pressure increases to values at which the bubble emits self-interstitial atoms, the sur-face self-diffusion and bubble diffusion coefficients begin to increase. It is shown that the bubble diffusion coefficient is proportional to the concentration of self-interstitial atoms in the surface layer. At higher gas pressures, self-interstitial atoms form dislocation loops around the bubble and bubble diffusion coeffi-cient drops significantly. The effect of surface self-diffusion suppression by gas pressure cannot explain the experimental data, while they can be explained by dislocation loops formation around bubbles. Two interatomic interactions models for Al-He system are considered. It is shown that the main findings of this work do not depend on the choice of the model.(c) 2022 Elsevier B.V. All rights reserved.
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