Molecular Dynamics Simulation of the Effect of Defect Size on Magnetostrictive Properties of Low-Dimensional Iron Thin Films.

Defects are an inevitable occurrence during the manufacturing and use of ferromagnetic materials, making it crucial to study the microscopic mechanism of magnetostrictive properties of ferromagnetic materials with defects. This paper conducts molecular dynamics simulations on low-dimensional iron thin films containing hole or crack defects, analyzes and compares the impact of defect size on magnetostrictive properties, and investigates the microscopic mechanism of their effects. The results indicate that the saturation magnetostrictive strains of the defect models do not increase monotonically as the defect size increases. Additionally, it is discovered that the arrangement of atomic magnetic moments in the initial magnetic moment configuration also affects the magnetostrictive properties. When controlling the size of the hole or crack within a certain defect area, it is found that the hole size has less influence on the initial magnetic moment configuration, resulting in a smaller corresponding change in the saturation strain and thus having a lesser impact on the magnetostrictive properties. Conversely, when the crack size changes, the arrangement of the atomic magnetic moments in the initial magnetic moment configuration changes more significantly, resulting in a greater corresponding change in saturation strain, and thus having a greater impact on the magnetostriction performance.