KMC clustering model comparison in BCC iron

A Kinetic Monte Carlo code was developed to study defect diffusion and clustering in structural steels, using pure iron as a surrogate. The code was used to perform Kinetic Monte Carlo simulations of vacancy diffusion and clustering with different cluster interaction radius models. Cluster interaction radius models from Deo and Ortiz were compared. Cluster time evolutions and final cluster size distributions were compared. Results showed a shift from high-density, small-size clusters in the Deo model to low-density large-size clusters in the Ortiz model. The variable-radius cluster interaction model from Ortiz was found to better reproduce the cluster distribution trends found experimentally.