Quantitative method to predict the energetics of helium-nanocavities interactions in metal systems based on electrophobic interaction

作     者：Fengping Luo Bowen Zhang Zhiying Gao Jia Huang Hong-Bo Zhou Guang-Hong Lu Fei Gao Yugang Wang Chenxu Wang 

作者机构：State Key Laboratory of Nuclear Physics and TechnologyCenter for Applied Physics and TechnologyPeking UniversityBeijing100871China Department of PhysicsBeihang UniversityBeijing100191China Department of Nuclear Engineering and Radiological ScienceUniversity of MichiganAnn ArborMI48109USA 

出 版 物：《Journal of Materiomics》 (无机材料学学报（英文）)

年 卷 期：2024年第10卷第3期

页      面：725-737页

核心收录：

学科分类：07[理学] 070202[理学-粒子物理与原子核物理] 0702[理学-物理学] 

基　　金：supported by National MCF Energy R&D Program (2022YFE03110000) National Natural Science Foundation of China(Grant No.12192280,11935004,12275009) 

主　　题：Nanocavities Helium Electrophobic interaction Predictive method 

摘      要：Energetics of helium-nanocavities interactions are crucial for unveiling underlying mechanisms of nanocavity evolution in nuclear ***,it becomes intractable and even not feasible to obtain these energetics via atomic simulations with increasing nanocavity size and increasing helium content in ***,a universal scaling law of helium-induced interaction energies in nanocavities in metal systems is proposed based on electrophobic interaction of *** on this scaling law and ab-initio calculations,a predictive method for binding energies of helium and displacement defects to nanocavities of arbitrary sizes and with different helium/vacancy ratios is established for BCC iron as a representative and validated by atomic *** predictive method reveals that the critical helium/vacancy ratio for helium-enhanced vacancy binding to nanocavities in-creases with increasing nanocavity size,and the helium/vacancy ratio giving the highest stability of nanocavities is about *** Ostwald ripening of nanocavities is delayed by helium to higher temper-atures due to reduced vacancy de-trapping rates from *** proposed scaling law can be generalized to many metal systems studied in the nuclear materials *** readily coupled into mesoscale models of irradiation damages,this predictive method facilitates clarifying helium role in cavity swelling of metallic nuclear materials.