Statistical field theory for the free energy of an electro-mechanical polymer chain: non-local dipole-dipole interactions in the fixed applied field ensemble

Pratik Khandagale, Carlos Garcia Cervera, Gal Debotton, Carmel Majidi, Kaushik Dayal

Research output: Contribution to conferenceAbstractpeer-review

Abstract

Existing theoretical approaches for polarizable polymers subject to a combined applied electric field and stretch are based on discrete monomer models. It is challenging to account for the non-local dipole-dipole interaction in this framework, and prior work typically consider only the interaction between the applied field and dipoles. To go beyond this approximation, we apply the statistical field theoretic framework that is based on a continuous description of the polymer chain in terms of density fields. We introduce a self-consistent formulation that enables us to address the setting of constant applied electric field ensembles that transforms the nonlocal interactions into a PDE constraint corresponding to the Gauss' equation. We implement the model in a finite element method to compute the free energy, average density, and average polarization distribution at equilibrium. We use this to study the impact of dipole-dipole interactions on the equilibrium properties.
Original languageEnglish
StatePublished - Mar 2022
Event APS March Meeting 2022 - Chicago
Duration: 14 Mar 202218 Mar 2022

Conference

Conference APS March Meeting 2022
CityChicago
Period14/03/2218/03/22

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