Study of the behavior of polyvinylidene fluoride (PVDF) under the action of electric field using semi-empirical methods (PM3)

Abstract

Piezoelectric material has the property of converting energy from the mechanical pressure of an external body into electrical energy on the piezo-structure, providing a strong potential source for renewable energy. Our aim in this article is to explore the properties of polyvinylidene fluoride polymer under the influence of an electric field. In sense to understand the behavior of integer polymer, we started to simulate the optimization of several small sizes (monomer, dimmer, trimer and tetramer) of this polymers subjected to uniform electric fields in the direction of the electric dipole applying a external electric field and analyzing the displacement of electrical charges. For this optimization of this polymer we used PM3 semi-empirical methods applying electric field applications. These results elucidate the behavior of electrical charges of an organic piezoelectric material under the action of external and uniform electric field.