First-principles study on the solute-induced low diffusion and self-trapping of helium in fcc iron

The addition of alloying elements plays an essential role in helium (He) behaviours produced by transmutation in metal alloys. Effects of solutes (Ni, Cr, Ti, P, Si, C) on the behaviours of He and He-He pair in face-centred cube (fcc) iron have been investigated using first-principles calculations b...

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Veröffentlicht in:	arXiv.org 2022-01
Hauptverfasser:	Rao, Kui, Hu, Jingxin, Ouyang, Gang, Zi-Ran Liu, He, Xinfu, Yang, Wen
Format:	Artikel
Sprache:	eng
Schlagworte:	Alloying elements Binding energy Chromium Density functional theory Diffusion First principles Helium Iron Mathematical analysis Nickel Physics - Materials Science Silicon Titanium Transmutation Trapping
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