FACET: a two dimensional simulator of polycrystalline thin film growth

摘要

We present FACET: a two dimensional simulator to model polycrystalline thin film growth, which links atomic scale processes to macroscopic phenomena. The model is based on the concept of describing the crystal surface in terms of preferred facets. Line segments were used to depict the profile of the grain and grain boundaries. Multiple nuclei are semi-randomly distributed along the textured or non-textured surface, and crystallographycally appropriate facets are created in the nucleation simulation. We use a Kinetic Lattice Monte Carlo (KLMC) method to calculate the inter-facet diffusion rates and use a continuum approach to grow the facets, hence the multiple grains. The software is Windows(95/98/2000/NT) based and has an integrated Graphical User Interface, within which a user can input deposition conditions and experimental and simulation data, visualize the nucleation and growth of the grains, and obtain the final grain structure and texture.