An advanced mathematical model for describing diffusion induced segregation (DIS) in the case of a (Zn,Fe)S single crystal is presented. Generalising an existing model, by the use of linear elasticity the Ginzburg-Landau potential now depends explicitly on the local strain. As a consequence, the diffusion process can be resolved with higher precision and the shape of the transition layer between sphalerite and chalcopyrite is now captured correctly. Finite element calculations in 2-d are presented and the new simulations are compared with results of the old model.

Keywords: structure gradients, reaction-diffusion equations, elasticity

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