Diffusion Modeling
Recently, Bill Cassata, Paul Renne and I have developed a numerical model for diffusion of noble gases in solids with arbitrary shapes and diffusion anisotropy. The numerical model is based on the lattice Boltzmann model and uses a new approach to fix a concentration boundary condition around the diffusing domain that I developed recently (see publications).
This work is published in GCA (2011) (see #16 of publications list). In this study and another manuscript in prep, we use the numerical model to test the effect of shape and diffusion anisotropy, as well as microstructural heterogeneities on the retention of noble gases in crystals during diffusion processes. The goal of this webpage is to provide potential users with the codes and explanations for two important models that resulted from our work: (1) the lattice Boltzmann model (2D, the 3D version is still under development) and (2) a new mathematical model (and additional codes) that allows to compute the radius of an equivalent sphere for the diffusion out of grains with complex topology with or without diffusion anisotropy.
Read more about the lattice Boltzmann model and download the LB models...