The behavior of inertial helium in materials has been a research focus.In this study,a computer simula-tion on the helium behavior in iron was run and the effects of helium on the matrix structure are reported.The heli-um 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 in-creased 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.%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。
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