Modeling nucleation and growth of encapsulated nanocrystals: Kinetic Monte Carlo simulations and rate theory

Abstract

The nucleation, growth, and early coarsening stages of three-dimensional (3D) cluster growth are modeled with an off-lattice 3D Kinetic Monte Carlo simulation and using a mean-field self-consistent solution to a set of coupled rate equations describing the process. The two approaches yield solutions that agree remarkably well, both for average properties and for the full cluster size distribution throughout the entire growth and coarsening regime. The asymptotic scaling properties of the island size distribution are shown to be similar to those expected from the analysis of Marqusee and Ross.