Development of a multiscale model for an atomic layer deposition process

A multiscale model of atomic layer deposition (ALD) inside a nanoporous material is developed in this paper. The overall model couples a lattice Monte Carlo simulator describing molecular-scale growth of the ALD film to a continuum description of the precursor transport within the nanopore. The multiscale simulation approach is used to study how intra-pore precursor depletion leads to nonuniform ALD films and to examine whether film properties, such as composition and surface roughness, are functions of position within the pore.