Kinetic Monte Carlo simulations of Al diffusion in Cu and Au diffusion in Si via the kick-out mechanism. Includes atomistic and coarse-grained models, time-dependent temperature ramps, and animated defect evolution.
python numpy jupyter-notebook kinetic-monte-carlo kmc materials-science diffusion atomistic-simulation coarse-grained-simulation kick-out-mechanism
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Updated
Mar 22, 2026 - Jupyter Notebook