Molacular Dynamics Study Of The Microstructure And Properties Of Ni/Fe Deposition Thin Film

As the development of technology and the application of the new materials, the thin film materials become the focus of people's study. Steel sheet with nickel coating, which prepared by electrodeposition of nickel on a lower carbon steel sheet, is one kind of special function belt materials. It is found that this material has good corrosion resistance, attractive toughness and excellent plasticity. It can be used as the shell of high performance alkaline zinc-manganese battery. In the present study, most of the work is concentrated on the cup-drawing performance and the properties of corrosion resistance, they find that when steel sheet with nickel coating was stretched, the surface of the nickel coating become rougher and wrinkled, the hardness and the Yung's modulus decreased and the original texture strength also changed, a proper explanation to these phenomena is needed from molecular/atomic scale, a deeper study is also needed to understand the relations of morphosis and inner microstructures of deposition layers and prepare technologies.In our work, the classical molecular dynamics is employed to studied the processes of physic vapor depositions of Ni/Fe system under various deposition temperatures, incident energies and incident angles. The results indicate that, at the very early stage the Ni deposition layers develops continuous film earlier under lower deposition temperatures than higher deposition temperatures, the surface roughness of deposition layers is higher under lower deposition temperatures than higher deposition temperatures, i.e., the deposition layers obey island growth mode under lower deposition temperatures while layer-by-layer growth mode under higher deposition temperatures, for the intermixing properties, the Fe atoms are easier diffuse into Ni deposition layers than deposition Ni atoms diffusion into Fe substrate and the intermixing process is temperature-dependent, the deposition layer is mainly the disordered phase under various deposition temperatures, the B2 structure NiFe alloy is found in Ni-rich phase under higher deposition temperatures; the Ni deposition layers develop continuous film earlier under lower atoms incident energy than higher incident energies, the vacancy density of the Ni deposition layers is incident-energy dependent, the higher incident energy cause the lower vacancy density, the higher atoms incident energy lead to deeper diffusion distance of deposition Ni atoms, but the penetrating Ni atoms are hard-fought in a certain depth in the substrate; when Fe atoms deposit on Fe substrate under the flux is not normal to the substrate surface condition, the deposition layers exhibit very sharp surface roughness corresponding the island growth mode, the vacancy density is incident angle dependent, the higher incident angle cause the higher vacancy density, while the strain normal to the deposition surface decrease with the increasing of the incident angle.