The short operating life of metallic diaphragm caused by fracture is one of the main disadvantages for diaphragm compressors used in hydrogen fueling stations. A new generatrix for cavity profile is proposed through optimization using the complex method to decrease the maximal radial stresses on both oil and gas sides of the diaphragm clinging to the cavity surface. In the optimization, the convex part of the cavity generatrix is subjected to a constraint that the generatrix has a lower slope than the deformed diaphragm under a uniform pressure load. This constraint aims to avoid cavity dead volume at the end of the gas discharge process. Thus, an analytical solution for the deflection of an edge-clamped metallic diaphragm under a uniform pressure load is firstly developed. The solution employs the principle of minimum energy and the Rayleigh-Ritz method, which based on the theory of thin plates with large deflections. Experimental measurements, as well as the finite elements method (FEM), are employed to validate the solution. The analytical results are found to be in good agreement with the results of measurements and FEM simulations. Secondly, the stress of the diaphragm with a specific deflection is calculated, and the radial stress concerning both gas side and oil side of the diaphragm is taken as the objective function. Finally, a new generatrix is obtained through the optimization. The radial stress of the diaphragm clinging to the new cavity profile is validated via the FEM simulation, and results match well with each other. It also approves that the cavity dead volume is eliminated by the new generatrix at the end of the gas discharge process. Moreover, the maximal and the centric radial stress of the working diaphragm were compared between the new generatrix and the traditional generatrix under the same design parameters, the maximal and the centric radial stress of the diaphragm decreased by 8.2% and 13.9%, respectively. Based on the proposed design method, effects of the cavity volume, cavity radius, diaphragm thickness and diaphragm material properties on the maximal radial stress of the working diaphragm are further discussed. (C) 2017 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.