Atomistic simulations were applied to investigate the coupling effect of the chemical complexity of single-phase concentrated solid solution alloys (SP-CSAs) and the defect-sink effects of graphene/CSA interfaces. The radiation-induced defect evolution and radiation resistance of NiFe–graphene (NiFeGr) nanocomposite were studied via energy calculation, cascade simulation, and defect insertion method. Results show that the interface acts as a defect trap to absorb interstitials and promote the migration of point defects toward the interface. The inherent effect of the CSAs promotes defect recombination, which significantly reduces the number of residual defects. At the same time, the concentrated solid solution alloy as matrix can effectively promote the strengthening of the interface. The combination of the two effects causes no obvious temperature effect of the radiation damage, but the material still shows good radiation resistance at high temperature. Therefore, the NiFeGr nanocomposite with synergy of concentrated solid solution alloy as a matrix and defect-sink effects from graphene interfaces shows good radiation resistance and broad application prospect in nuclear engineering materials.

应用原子模拟来研究单相浓缩固溶体合金 (SP-CSA) 的化学复杂性与石墨烯/CSA 界面的缺陷汇效应的耦合效应。通过能量计算、级联模拟和缺陷插入方法研究了 NiFe-石墨烯 (NiFeGr) 纳米复合材料的辐射诱导缺陷演变和抗辐射性。结果表明，界面作为缺陷陷阱吸收间隙并促进点缺陷向界面迁移。CSA 的内在作用促进了缺陷的重组，从而显着减少了残留缺陷的数量。同时，以浓固溶体合金为基体，可以有效促进界面的强化。两种效应的结合导致辐射损伤没有明显的温度效应，但材料在高温下仍表现出良好的抗辐射性。因此，以浓固溶体合金为基体的协同作用和石墨烯界面的缺陷吸收效应的NiFeGr纳米复合材料在核工程材料中表现出良好的耐辐射性和广阔的应用前景。