The mechanism of inducing a phase change from alpha-poly(vinylidene fluoride) (alpha-PVDF) to beta-PVDF is addressed using molecular dynamics simulations based on a molecular mechanics force field. The effect of applying a strain to the alpha-PVDF crystal along the axis of the molecules is investigated, as well as poling the crystal before or after stretching. Rather large (at least 10(10) V/m) electric fields that are perpendicular to the axis of the PVDF molecules are required to induce alpha- to beta-PVDF phase change when no strain is applied to the alpha-PVDF crystal. However, at a strain of 1.0475 (i.e., when the crystal is stretched by 4.75%) alpha-PVDF changes to beta-PVDF like structure, where the beta-PVDF molecules orientate anti-parallel relative to each other. Transformation of the anti-parallel beta-PVDF to beta-PVDF can be induced by poling (even at the lowest electric field of 10(5) V/m studied here) or by thermal annealing. (C) 2012 Elsevier Ltd. All rights reserved.