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An improved version of a recently developed stochastic cluster dynamics (SCD)method {[}Marian, J. and Bulatov, V. V., {\it J. Nucl. Mater.} \textbf{415}(2014) 84-95{]} is introduced as an alternative to rate theory (RT) methods forsolving coupled ordinary differential equation (ODE) systems for irradiationdamage simulations. SCD circumvents by design the curse of dimensionality ofthe variable space that renders traditional ODE-based RT approaches inefficientwhen handling complex defect population comprised of multiple (more than two)defect species. Several improvements introduced here enable efficient andaccurate simulations of irradiated materials up to realistic (high) damagedoses characteristic of next-generation nuclear systems. The first improvementis a procedure for efficiently updating the defect reaction-network and eventselection in the context of a dynamically expanding reaction-network. Next is anovel implementation of the $\tau$-leaping method that speeds up SCDsimulations by advancing the state of the reaction network in large timeincrements when appropriate. Lastly, a volume rescaling procedure is introducedto control the computational complexity of the expanding reaction-networkthrough occasional reductions of the defect population while maintainingaccurate statistics. The enhanced SCD method is then applied to model defectcluster accumulation in iron thin films subjected to triple ion-beam($\text{Fe}^{3+}$, $\text{He}^{+}$ and $ $$\text{H\ensuremath{{}^{+}}}$$ $)irradiations, for which standard RT or spatially-resolved kinetic Monte Carlosimulations are prohibitively expensive.

Computationally-efficient stochastic cluster dynamics method for modeling damage accumulation in irradiated materials