The CADiff software and method allows for numerical simulation of interdiffusion and reactive diffusion processes. Below is a short description about the CADiff software and method.

“We present the software and method CADiff which allows for numerical simulation of interdiffusion and reactive diffusion processes. The method is based on the following assumptions: i) the diffusion fluxes are defined in the volume fixed reference frame that is rigorously defined ii) the Darken method is extended and allows analyzing the non ideal alloys showing different molar volumes, iii) the boundary conditions take into account both the interdiffusion and reactive diffusion and iv) the flux constraints are used to couple processes occurring at different time scales. The interdiffusion can be computed starting from the Fick’s constitutive diffusion flux formula to the combined Darken-Onsager approach. It allows modeling pure interdiffusion in multi-component systems as well as a wide class of the reaction-diffusion problems associated with solid state chemistry, corrosion, surface treatment etc.”

Citation: M. Danielewski and B. Wierzba, "CADiff: a software and method to numerically model diffusion and reactive–diffusion in multi-component systems," Interdisciplinary Centre for Materials Modeling, AGH University of Science and Technology. Posted on MaterialsTechnology@TMS 2/1/2008.