A self-organization model for repartition of dislocation cell structures and transition of subgrains on a three-stage hardening of single crystal are developed. Stress-effect coefficients models are proposed in order to introduce stress information into the reaction-diffusion equations. A FD simulation for dislocation patterning and a FE one for crystal deformation are simultaneously carried out for an FCC single crystal. It is numerically predicted that a cell structures are repartitioned and the generated dislocation pattern in stage III can be regarded as a subgrain.