It is hoped to design and modeling of five layers Fe/ZrO2 functionally graded materials for high temperature applications in this paper. The design part, were started with the supposing of connecting two distinct material layers. The two layers were associated by a graded interface composing of three layers. Thickness of graded layer (i.e. RF) was designed and tested with the FEM method through the COMSOL package. The software was used extensively to examine the best graded part thickness percentage (i.e.RF %) that connecting the two different material layers. Two parameters were examined such as N and RF% to determine the best value of (N) and (RF %) that imparts low residual stresses. Thermal stresses that developed as a result of exposing of material to high temperature environments also calculated. The simulation indicates that the sample with (RF= 80% and N = 0. 7) Provides minimum residual stress at high working temperature 1000℃ with good mechanical properties.