The Molecular Dynamics Simulations Of Low-energy Cu Atom And Cu₁₃ Cluster Interacting With The Substrate Of Fe（001）

The magnetic multilayer film with a giant magnetoresistance effect has brought a huge impact on electromagnetic fields, materials science and so on. Since the magnetic multilayer film is widely used in storage, household appliances, industrial machine and others, that greatly improves our lives. The study of magnetic multilayers should move forward.Studying fundamental properties of magnetic multilayer film is mainly based on test procedure and analogy procedure. Under the experimental conditions the presence of specific aspects of processes, particle trajectories, et. clearly observed w challenges. And simulating method can solve such problems, providing great convenience on the study of microscopic mechanism about the interacting with particles. Simulating measure applied here is molecular dynamics simulation, which is an accurate algorithm. We can determine the movement process and status of system well according to the reasonable initial conditions. The molecular level microcosmic mechanism on atomic interaction between molecules could be shown explicitly. Therefore, researchers have done much of research work at atom deposition by molecular dynamics simulation.This paper introduces the molecular dynamics simulation of the interaction between Cu atom and the substrate of Fe(001). The result tells us that we can have an in-depth knowledge about the microscopic mechanism of the individual Cu atoms deposited on the substrate of Fe through the changes in average kinetic energy curve; the changes of structure constant and migration distance curve. We have a good way to meet the specific role when Cu atoms interacting with Fe substrate.After understanding the mechanism and effects of Cu atom depositing onto the substrate of Fe, a comparison were given between Cu13 cluster depositing onto the Fe substrate and Cu atom. The analysis illustrates that there are differences in the microscopic mechanisms between Cu atom and Cu13 cluster mutual acting with Fe(001). Cu13 cluster exhibits a collective effect significantly. And the curve of relative average centroid height, the curve of migrate distance and the final morphology are well documented: the main discrepancy between the two interacting with the substrate of Fe lies in the collective effects which cluster having. As with the results, the collective effects of the Cu13 cluster demonstrated that the Cu13 cluster had a stronger ability to combine with the substrate and spread on it compared with the Cu atom in special situation.