SIMULATION OF TEXTURE FORMATION IN A ZrO2 FILM GROWN ON Zr-2.5%Nb

Abstract

A computer model is developed which is capable of simulating the texture and microstructure of the oxide grown on a Zr substrate. In this computer model, the effects of both substrate texture and microstructure in the formation of oxide texture and microstructure are taken into account. The substrate and oxide are represented with digitized unit cells. Each unit cell has an orientation characterized by three Euler angles. In the nucleation and re-nucleation stage, the orientation of each oxide cell is determined by substrate orientation and microstructure. In the oxide grain growth stage, the orientation of each oxide cell is determined by minimizing the stress at the oxide/metal interface. In this paper, the model is applied to the simulation of the texture formation of the ZrO2 grown on a Zr–2.5%Nb substrate. Three substrates with completely different orientations and microstructures are used in the study. Good agreement between the simulated and the experimental results is obtained.