Justification of a Monte Carlo Algorithm for the Diffusion-Growth Simulation of Helium Clusters in Materials

A theoretical analysis of a Monte Carlo (MC) method for the simulation of the diffusion-growth of helium clusters in materials is presented. This analysis is based on an assumption that the diffusion-growth process consists of first stage, during which the clusters diffuse freely, and second stage in which the coalescence occurs with certain probability. Since the accuracy of MC simulation results is sensitive to the coalescence probability, the MC calculations in the second stage is studied in detail. Firstly, the coalescence probability is analytically formulated for the one-dimensional diffusion-growth case. Thereafter, the one-dimensional results are employed to justify the MC
simulation. The choice of time step and the random number generator used in the MC simulation are discussed.