Theoretical study of the structural and thermodynamic properties of U-He compounds under high pressure

Uranium is considered as a very important nuclear energy material because of the huge amount of energy it releases. As the main product of the spontaneous decay of uranium, it is difficult for helium to react with uranium because of its chemical inertness. Therefore, bubbles will be formed inside ur...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2024-07, Vol.26 (28), p.19228-19235
Hauptverfasser:	Cao, Ye, Song, Hongxing, Yan, Xiaozhen, Wang, Hao, Wang, Yufeng, Wu, Fengchao, Zhang, Leilei, Wu, Qiang, Geng, Huayun
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic structure Bubbles Charge density Chemical bonds Chemical compounds Covalent bonds Density functional theory Dynamic mechanical properties Elastic properties First principles Helium High pressure High temperature Mechanical properties Metastable phases Modulus of elasticity Molecular dynamics Nuclear energy Nuclear reactor components Nuclear reactors Nuclear safety Phase transitions Storage modulus Structural stability Thermodynamic properties Uranium
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