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

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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Bibliographic Details
Main Authors: Aoyu Mo, Haijun Li, Fuquan Guo, Xiaowei Ma, Yunshan Xiong, Peng Shao, Bo Li, Kun Jie Yang, Yue-Lin Liu, Quan-Fu Han
Format: Article
Language:English
Published: Elsevier 2025-06-01
Series:Nuclear Materials and Energy
Subjects:
Molybdenum
Beryllium
Vacancy
Self-interstitial atom
First-principles calculations
Online Access:http://www.sciencedirect.com/science/article/pii/S2352179125000900
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