A Study on the Formation Process of Fe Clusters During Insulation of Cu95Fe5 Alloy

XF Wang and HY Zhang and CJ Xu and XF Gao and ZH Zhang and YG Li and L Liu, PROCESSES, 13, 557 (2025).

DOI: 10.3390/pr13020557

The molecular dynamics simulation technique was utilized to examine the structural variations of the Cu95Fe5 alloy, as well as the precipitation and aggregation processes of Fe atoms during heat preservation. It is shown that the crystallization temperature of the Cu95Fe5 alloy under the condition of a 2 x 1010 K/s cooling rate is 882 K. Crystallization of the alloy occurs when it is insulated under the temperature conditions of 900 K, 1000 K, and 1100 K. The lower the holding temperature, the shorter the holding time required for the system to initiate crystallization. In other words, lower temperature holding facilitates easier crystallization. The formation process of Fe clusters has been investigated. The size and quantity of Fe clusters at various stages are influenced by the interatomic interaction forces between Fe atoms, the diffusion capabilities of Fe atoms, the local structural rearrangement of nondispersive atoms, and the interfacial energy between Fe clusters and the Cu matrix. The formation of Fe clusters in the insulation process mainly undergoes four stages: First, the initial small clusters are disassembled under the influence of molecular thermal motion and the attractive interactions between Fe atoms. This process leads to the formation and growth of new small clusters. Secondly, the clusters condense and grow under non-diffusive atomic local structure rearrangement. Third, the Fe clusters are sphericalized under Cu-Fe interfacial energy. Fourth, individual Fe atoms are diffused into large Fe clusters under the action of molecular thermal motion.

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