铁中氦原子行为的计算机模拟研究  

Computer Simulation Study on the Helium Behavior in Iron

作　　者：杨莉[1] 孙庆强[1,2] 祖小涛[1] 

机构地区：[1]电子科技大学物理电子学院,成都610054 [2]淮海工学院理学院,江苏连云港222005

出　　处：《西华师范大学学报（自然科学版）》2016年第1期82-90,4,共9页Journal of China West Normal University(Natural Sciences)

基　　金：国家自然科学基金项目(U1430109)

摘　　要：惰性元素氦在材料中的行为是核材料科学与核技术中备受关注的特殊问题。本文从三个方面介绍了采用分子动力学模拟Fe中氦原子的行为,以及氦原子对基体结构的影响。Bcc Fe的体相中氦原子加剧了辐照初期缺陷的形成。在较高温度下,氦原子迁移聚集踢出自间隙原子,形成氦泡-位错环复合结构。由于氦原子与位错有很强的结合力,而且氦团越大结合力越强,使得位错难以穿过较大氦团。氦团对位错的阻碍作用导致穿过氦团的位错出现了攀爬现象。氦原子在晶界附近的行为及其对晶界结构的影响主要与原晶界结构、温度和氦浓度有关。The behavior of inertial helium in materials has been a research focus. In this study,a computer simulation on the helium behavior in iron was run and the effects of helium on the matrix structure are reported. The helium atoms enhanced the production of defects in early radiation stage. Helium cluster-loop complexes were formed due to the migration and nucleation of helium atoms. The binding energies between helium and dislocations increased with the size of helium clusters. This strong binding energy of large helium clusters impeded the motion of dislocations,resulting in the climbing of the dislocations. The experiment showed that the behavior of helium and the effects of helium on the structures of grain boundaries mainly depend on the initial structure of grain boundaries,temperature and helium concentration.

关 键 词：氦 铁 位错 晶界 计算机模拟 

分 类 号：O469[理学—凝聚态物理] O77[理学—电子物理学]