KMCS v1.0.0: Software underlying the publication “Morphology Evolution during Lithium-Based Vertically Aligned Nanocomposite Growth”

KMCS is a lattice-based kinetic Monte Carlo model for simulating pulsed multi-material thin-film growth, with a particular focus on vertically aligned nanocomposites. This deposit archives version 1.0.0 of the Python adaptation.

The software implements pulsed deposition and surface diffusion on a stepped solid-on-solid lattice. It supports single- and multi-material simulations, successive deposited layers with independently defined conditions, automated temperature-frequency simulation runs, pillar number-density analysis, and two- and three-dimensional visualization of saved simulation states.

The present Python version is based on a MATLAB implementation used in the related 2019 publication, which itself followed earlier C++ groundwork. The Python implementation reproduces the published temperature- and frequency-dependent morphology trends and extends the workflow with support for additional materials and a Design of Experiments analysis. Installation, configuration, outputs, limitations, examples, contributor history, and testing instructions are documented in the included README and supporting files.

The software is intended for researchers and students studying kinetic growth, pulsed laser deposition, thin-film morphology, and vertically aligned nanocomposites.