Predicted electric-field-induced hexatic structure in an ionomer membrane.

Coarse-grained molecular-dynamics simulations were used to study the morphological changes induced in a Nafion-like ionomer by the imposition of a strong electric field. We observe the formation of structures aligned along the direction of the applied field. The polar head groups of the ionomer sidechains aggregate into clusters, which then form rodlike formations which assemble into a hexatic array aligned with the direction of the field. Occasionally these lines of sulfonates and protons form a helical structure. Upon removal of the electric field, the hexatic array of rodlike structures persists and has a lower calculated free energy than the original isotropic morphology.