Title

Computational analysis of bending strain in single chains of β-PVDF

Document Type

Article

Date of Original Version

11-1-2011

Abstract

Hartree-Fock calculations on 20 carbon atom chains of β-phase poly(vinylidene fluoride) (PVDF) were done as a function of bending strain. The results can be modeled in terms of a classical energy versus strain curve resulting in a pseudomodulus (310 GPa) comparable to the Young's modulus calculated for stretching along carbon atom chain (199 GPa). The model also shows that the minimum energy state of a single chain of the polymer is not linear in the all-trans geometry and that a significant strain energy is stored in natural thin films. This suggests that energy can be captured from bending motions in β-PVDF. © 2011 Wiley Periodicals, Inc.

Publication Title

Journal of Polymer Science, Part B: Polymer Physics

Volume

49

Issue

21

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