Phase field simulation of spinodal decomposition in Zr–Nb alloys for implant materials

Abstract

Zirconium (Zr)-based alloys, a new class of hard-tissue replacement materials, show lower strength compared to traditional medical metal materials such as stainless steel, cobalt alloy, and Ti-6Al-4V alloys, which may lead to premature fracture of the implant. Spinodal decomposition can increase the strength greatly without an increase in the elastic modulus of the alloy. In this study, a phase field method based on the Cahn–Hilliard equation was applied to the simulation of the spinodal decomposition in Zr–Nb alloys. The spinodal region on the Zr–Nb phase diagram was calculated by the phase field method by considering the interfacial energy and elastic strain energy contribution to the total Gibbs free energy. Furthermore, the effects of the Nb content and heat-treatment temperature on the morphology, amplitude, and volume fraction of the decomposition phases are discussed. Simulation results indicate that the morphology of the β′ phase is interconnected and regular with a preferential alignment in the ⟨110⟩ direction to reduce the strain energy, which may restrict the spinodal decomposition of the alloys. The two droplet phases merge, which can be attributed to the reduction in the elastic strain energy. The phase decomposition rate increases with an increase in aging temperature, but the aging temperature has only a small influence on the final volume fraction of the β′ phase.