A computational model of ferroelectric domains. Part I: model formulation and domain switching

A model for studying the domain pattern of ferroelectric materials and its evolution is developed. In a departure from prior work, the electrostatic potential is made explicit, and consequently the model is able to predict the microstructural evolution and the macroscopic behavior of ferroelectrics subjected to realistic electromechanical boundary conditions. Nucleation of domains and propagation of domain walls are investigated under combined electro-mechanical loading and compared to recent experiments. The correlation between the microstructural change and macroscopic response provides evidence that the recently observed large strain actuation of ferroelectric materials is due to 90° domain switching.