A high-fidelity kinetic Monte Carlo (KMC) simulation method (T. Treeratanaphitak, M. Pritzker, N. M. Abukhdeir, Electrochim. Acta 121 (2014) 407--414) using the semi-empirical multi-body embedded-atom method (EAM) potential has been extended to model polycrystalline metal electrodeposition. Simulations using KMC-EAM are performed over a range of overpotentials to predict the effect on deposit texture evolution. Roughness-time power law behaviour (∝tβ) is observed where β=0.62±0.12, which is in good agreement with past experimental results. Furthermore, the simulations provide insights into the dynamics of sub-surface deposit morphology which are not directly accessible from experimental measurements.
@article{arxiv.1405.4559,
title = {Atomistic Kinetic Monte Carlo Simulations of Polycrystalline Copper Electrodeposition},
author = {Tanyakarn Treeratanaphitak and Mark D. Pritzker and Nasser Mohieddin Abukhdeir},
journal= {arXiv preprint arXiv:1405.4559},
year = {2014}
}