Monte Carlo simulation of polarization reversal of ferroelectric polymer polyvinylidene fluoride

Abstract

We consider a system composed of planar zigzag chain molecules of ferroelectric polymer PVDF. Taking the Lennard–Jones potential and the dipole–dipole interaction into consideration and assuming restrictions on molecular degrees of freedom, we have performed a Monte Carlo simulation which enables us to discuss the polarization reversal of PVDF under constant external electric field. Our simulation shows that the phenomenon is accompanied by nucleation and expansion of reversed domains. It also indicates that the dipole–dipole interaction between molecules causes growth anisotropy of the reversed domains.