Abstract
A multiscale-linking algorithm has been developed for the efficient simulation of irreversible deposition of particles on a two-dimensional substrate. The algorithm combines Brownian dynamics simulation (BDS) for the evaluation of particle trajectories with the solution of the continuum-level conservation law for particle concentration. This allows for the use of a simulation box with relatively small dimensions in the flux direction, resulting in significant CPU-time savings. The instantaneous flux of particles into the box is computed from the solution of the transient diffusion equation with an adaptive Neumann boundary condition. The incoming particles are placed in the box in accordance with the probability distribution function associated with the motion of particles. The algorithm is applied for the simulation of irreversible monolayer deposition of noninteracting hard spheres. Results are presented for the kinetics (fractional surface coverage, $\theta$) and the surface structure (radial distribut...
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