First-principles study of beryllium thermodynamics and clustering mechanism in molybdenum: Effects of vacancies and self-interstitial atoms

The clustering behavior of beryllium (Be) following plasma irradiation is of particular significance for molybdenum (Mo) in future fusion devices. Using first-principles calculations combined with thermodynamic models, the optimal configuration for Be clustering in Mo has been clearly determined, wi...

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Hlavní autoři:	Aoyu Mo, Haijun Li, Fuquan Guo, Xiaowei Ma, Yunshan Xiong, Peng Shao, Bo Li, Kun Jie Yang, Yue-Lin Liu, Quan-Fu Han
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Elsevier 2025-06-01
Edice:	Nuclear Materials and Energy
Témata:	Molybdenum Beryllium Vacancy Self-interstitial atom First-principles calculations
On-line přístup:	http://www.sciencedirect.com/science/article/pii/S2352179125000900
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