MSE Masters Thesis Final Presentation: Karl Valter

MSE Masters Thesis Final Presentation: Karl Valter

TITLE: Computational And Experimental Investigation Into The Self-Limiting Nature Of Electrodepositing Ultrathin Polymer Films

ADVISOR: Joerg Werner MSE

COMMITTEE: Emily Ryan ME; Keith Brown ME

ABSTRACT: This master’s thesis presents a combined computational and experimental investigation of the electrodeposition process for ultrathin polymer films, with a particular focus on the self-limiting nature of the process. A numerical model, implemented using smoothed particle hydrodynamics within the LAMMPS framework, integrates Butler-Volmer kinetics and Stokes-Einstein equation-based approximation for polymer diffusion. The model, applied to both planar and pore electrode geometries, exhibits a distinct two-phase growth mechanism: an initial rapid deposition phase followed by a diffusion-limited regime which is continuously hindered by the forming polymer network and leads to self-limiting film growth. Complementary ex-situ and in-situ atomic force microscopy experiments corroborate the simulation results and are consistent with the two growth phases theory. These findings not only enhance the fundamental understanding of the electrodeposition process but have also laid the groundwork for future in-situ experiments and computational models.