Abstract: The molecular dynamics simulation method reveals the details of material evolution at the atomic level, bridging the micro and macro worlds, and can guide the development and research of high-performance materials. This article used molecular dynamics methods to study the aging process of Cu-Fe alloys. The aging diffusion behavior of Cu-Fe alloys with different Fe atom percentages at different temperatures was simulated using the embedded atomic potential (EAM). The effects of temperature and Fe atom content on the aging process were explored by combining diffusion coefficients, diffusion activation energy, and binding energy. The results indicated that an increase in the aging temperature of Cu-Fe alloys would promote the diffusion of Fe atoms in the alloy. In contrast, an increase in Fe atom content in Cu Fe alloy would inhibit the diffusion behavior of Fe atoms. Meanwhile, during the aging process of Cu-Fe alloy, Fe atoms would gradually aggregate to form small clusters, and some small clusters would eventually merge to form large clusters.