Atomistic simulations were utilized to investigate the effects of interstitial carbon on the radiation tolerance of carbon-doped NiFe binary alloy (NiFeC). Cascade simulation and defect insertion method were implemented to systematically study the radiation-induced defect generation and clustering mechanisms. Results showed that the interstitial carbon reduced the defect counts during the thermal spike expansion in the ballistic stage. For the final survived defect clusters, the cluster size in NiFeC decreased significantly relative to that in NiFe alloy. The energetic and kinetic calculations verified the migration behavior of the interstitial and vacancy in NiFeC. The mobility of the interstitial was inhibited by the lattice distortion aggravated by interstitial carbon. The vacancy tended to bind with the carbon atoms and remained immobile. Both characteristics suppressed the formation of large-sized clusters, such as dislocation loop and stacking fault tetrahedra observed in NiFe.

利用原子模拟研究间隙碳对掺碳NiFe二元合金（NiFeC）的耐辐射性的影响。进行了级联模拟和缺陷插入方法，以系统地研究辐射引起的缺陷的产生和聚类机制。结果表明，间隙碳减少了弹道阶段热尖峰扩展过程中的缺陷计数。对于最终幸存的缺陷簇，NiFeC中的簇尺寸相对于NiFe合金中的簇尺寸显着减小。能量和动力学计算证明了NiFeC中间隙和空位的迁移行为。间隙碳的迁移加剧了晶格畸变，从而抑制了间隙的迁移率。空位倾向于与碳原子结合并且保持不动。