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 

机构地区：[1]State Key Laboratory of Nuclear Physics and Technology,Center for Applied Physics and Technology,Peking University,Beijing,100871,China [2]Department of Physics,Beihang University,Beijing,100191,China [3]Department of Nuclear Engineering and Radiological Science,University of Michigan,Ann Arbor,MI,48109,USA

出　　处：《Journal of Materiomics》2024年第3期725-737,共13页无机材料学学报（英文）

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

摘　　要：Energetics of helium-nanocavities interactions are crucial for unveiling underlying mechanisms of nanocavity evolution in nuclear materials.Nevertheless,it becomes intractable and even not feasible to obtain these energetics via atomic simulations with increasing nanocavity size and increasing helium content in nanocavities.Herein,a universal scaling law of helium-induced interaction energies in nanocavities in metal systems is proposed based on electrophobic interaction of helium.Based 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 simulations.This 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 1.6.The Ostwald ripening of nanocavities is delayed by helium to higher temper-atures due to reduced vacancy de-trapping rates from nanocavities.The proposed scaling law can be generalized to many metal systems studied in the nuclear materials community.Being readily coupled into mesoscale models of irradiation damages,this predictive method facilitates clarifying helium role in cavity swelling of metallic nuclear materials.

关 键 词：NANOCAVITIES HELIUM Electrophobic interaction Predictive method 

分 类 号：O57[理学—粒子物理与原子核物理]