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- Type of Document: M.Sc. Thesis
- Language: Farsi
- Document No: 44209 (07)
- University: Sharif University of Technology
- Department: Materials Science and Engineering
- Advisor(s): Dolati, Abolghasem
- Abstract:
- In this research project, Ni electrodeposition process has been modeled by a 3D coupled continuum-kinetic Monte Carlo simulation. Kinetic Monte Carlo module processes surface reactions along the substrate using electrochemical equations for the relating events. Continuum model also determines concentration of the whole system according to a 3D interpretation of diffusion law in solutions. After running each module, exchange of data between two codes is done and boundary conditions are updated. In fact, the whole simulation time is divided by small time steps relating to time fastest reactions need to proceed. Present model will generate three outputs: current-time curve, surface morphology and film thickness and roughness. Using this model, effect of some parameters on nickel electrodeposition has been studied. Results of simulation showed a satisfactory agreement with experimental data. It has been shown that for achieving better conformity between simulation and experiments, a non-uniform distribution of some simulation parameters in a probable range could be considered. Moreover, current time curves that utilize electrochemical equations for nucleation and diffusion in this research demonstrate a better correspondence compared to previous studies. Surface morphology and roughness, which are functions of interaction between charge transfer and surface diffusion, would have instantaneous mechanism with three-dimensional nucleation patterns in higher over potentials that could be studied by the model
- Keywords:
- Phase Field Model ; Electrodeposition Simulation ; Kinetic Monte Carlo Model ; Charge Transfer Reaction ; Surface Diffusion
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