Computer Simulation of Hydride Precipitation in Bi-crystalline Zirconium

Abstract

ABSTRACTγ-hydride precipitation and growth in a zirconium bi-crystal were simulated using a phase field kinetic model. The temporal evolution of the spatially dependent field variables is determined by numerically solving the time-dependent Ginzburg-Landau equations for the structural variables and the Cahn-Hilliard diffusion equation for the concentration variable. The morphology evolution of γ-hydride with and without external load was simulated. It is demonstrated that nucleation density of the hydride at the grain boundary increases as compared to the bulk and favorable hydride precipitation at the grain boundary become weaker when an external load is applied.