First-Principles Calculations of the Diffusivity of Interstitial Helium in Alpha‑U Considering Anisotropy, Isotope Effects, and Quantum Effects

The interstitial migration of helium in alpha-U, which is planned to be used as a tritium storage material for nuclear fusion reactors and as a metallic fuel for advanced nuclear reactors, is studied by first-principles calculations. First, all migration paths are identified using the nudged elastic...

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Veröffentlicht in:	Journal of physical chemistry. C 2021-09, Vol.125 (38), p.21101-21111
Hauptverfasser:	Kim, Jae-Hyuk, Lee, Jae-Uk, Chang, Min Ho, Oda, Takuji
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Physical Properties of Materials and Interfaces Chemistry Chemistry, Physical Materials Science Materials Science, Multidisciplinary Nanoscience & Nanotechnology Physical Sciences Science & Technology Science & Technology - Other Topics Technology
Online-Zugang:	Volltext
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