Software for Simulation of Diffusion Process in Polycrystalline Material

Abstract:

Understanding of diffusion processes in polycrystalline solids is of importance for studying processes like oxidation, precipitation, creep, superplastic forming, annealing and many other processes. In this paper, we will introduce our latest software that is able to simulate the diffusion process in poly and nano-crystalline solids. The diffusion process is simulated based on Random Walk theory. The diffusion matrix can be computer generated or obtained from the experimental measurement using Orientation Imaging Microscopy. The software describes microstructure and incorporates the effects of the material’s texture, grain size and shape, grain boundary character distribution, statistical information on CSL boundary distributions, contribution from triple junctions and interfaces, the trapping of diffusing atoms and interaction of atoms with second phases and voids. A built-in database of diffusivities of various diffusing species and the user friendly interface make the software easy to use. The software is also applicable to thin films and multilayer structures. The output of simulation can be presented as a normalized concentration profile, a two-dimensional contour map of diffusing species, and also using many other statistical representations.