初始离位原子能量对Fe辐照损伤的分子动力学模拟研究  

Molecular dynamics simulation of Primary Knock-onAtom energy on Fe irradiation damage

作　　者：张文利[1] 刘成威 魏少翀[2,3] 邹扬 刘省勇 史经灿[2,3] 陈国星 ZHANG Wenli;LIU Chengwei;WEI Shaochong;ZOU Yang;LIU Shengyong;SHI Jingcan;CHEN Guoxing(Daya Bay Nuclear Power Operations and Management Co.Ltd.,Guangdong Shenzhen 518124;Suzhou Nuclear Power Research Institute Co.Ltd.,Jiangsu Suzhou 215004;National Engineering Research Center for Nuclear Power Plant Safety&Reliability,Jiangsu Suzhou 215000)

机构地区：[1]大亚湾核电运营管理有限责任公司,广东深圳518124 [2]苏州热工研究院有限公司,江苏苏州215004 [3]国家核电厂安全及可靠性工程技术研究中心,江苏苏州215000

出　　处：《辐射防护》2024年第5期518-523,共6页Radiation Protection

基　　金：江苏省自然科学基金(BK20211079)资助。

摘　　要：在高能辐照环境下,核电站结构材料会产生内部缺陷,影响材料的服役性能。采用分子动力学方法模拟Fe在辐照环境下的级联碰撞过程和初始离位原子(PKA)能量对辐照损伤缺陷的影响。研究结果表明:Fe的级联碰撞过程分为三个阶段,弗朗克尔(Frenkel)缺陷对数量到达峰值后发生缺陷复合,导致缺陷对数量迅速降低,并趋于稳定。随着PKA能量的增加,Frenkel缺陷对在峰值和稳定状态时的数量越多,并且缺陷复合率越高。同时,随着PKA能量的增加,间隙原子团簇和空位团簇的团簇尺寸越大,其对应的团簇数量越多。因此,通过模拟Fe的辐照损伤过程,为高能辐照环境下材料的辐照损伤情况提供预测,对材料的服役寿命提供理论指导。In the high-energy irradiation environment,the structural materials of nuclear power plant could produce internal defects,which will affect the service performance.In this paper,molecular dynamics method is used to simulate the cascade collision process of Fe in irradiation environment and the effect of PKA(Primary Knock-on Atom)energy on irradiation damage defects.The results show that the cascade collision process of Fe is divided into three stages,the number of Frenkel defect pairs first reaches the peak and then recombines,resulting in a rapid decrease in the number of defect pairs and finally a tend to be stable.With the increase of PKA energy,the higher the number of Frenkel defect pairs in peak and stable states,the higher the defect recombination ratio.Meanwhile,with the increase of PKA energy,the larger the cluster size of interstitial clusters and vacancy clusters,the more the number of corresponding clusters.Therefore,the radiation damage process of Fe can be used to predict the radiation damage of materials under high-energy radiation environment and provide theoretical guidance for the service life of materials.

关 键 词：FE 辐照损伤 分子动力学 Frenkel缺陷对 PKA能量 

分 类 号：TL375.6[核科学技术—核技术及应用] TL752.3