An optimization-based 'phase field' model for polycrystalline ferroelectrics

摘要

An optimization-based computational model is proposed to study domain evolution in polycrystalline ferroelectrics composed of numerous grains, each of which consists of multiple domains. Domain switching is realized by an optimization process to minimize the free energy of each grain. Similar to phase field modeling, no priori domain-switching criterion is imposed in the proposed model. Moreover, by focusing on the volume fractions of domains only, the computational complexity of this model becomes much smaller and the domain textures evolution can be captured. Simulation results on both tetragonal and rhombohedral lead titanate zirconate ceramics illustrate the efficiency of this model. © 2010 American Institute of Physics.