Can Polyelectrolyte Mechanical Properties be Directly Modulated by an Electric Field? A Molecular Dynamics Study

Raiter, Prathamesh D.; Vidavsky, Yuval; Silberstein, Meredith N.

doi:10.1002/adfm.202006969

Can Polyelectrolyte Mechanical Properties be Directly Modulated by an Electric Field? A Molecular Dynamics Study

Journal Article · Thu Oct 15 00:00:00 EDT 2020 · Advanced Functional Materials

DOI:https://doi.org/10.1002/adfm.202006969· OSTI ID:1775349

Raiter, Prathamesh D. ^[1]; ^[2]; ^[2]

Cornell Univ., Ithaca, NY (United States); Cornell University
Cornell Univ., Ithaca, NY (United States)

Multifunctionality in polymers facilitates their application in emerging technologies. Electrical fields are a preferred stimulus because of the speed and ease of application to bulk polymers. While a wide range of electrically triggered actuators are developed, and electrically controlled adhesion between gels is demonstrated, modification of bulk mechanical properties via electrical stimuli remains elusive. Polymers with covalently incorporated ionic charge (polyelectrolytes) should be well suited to achieving this goal since the mechanical properties depend on electrostatic interactions and these charges are intrinsically susceptible to electric fields. Molecular dynamics simulations are utilized here to investigate whether electric fields can modulate the mechanical properties of polyelectrolytes and to understand the governing mechanisms. Mechanical property modulation by electric field is found to be sensitive to the charge distribution—charges must be tightly attached to the polymer backbone, and responsivity is greater if a single backbone contains both positive and negative charges. The dominant mechanisms are reorientation and stretching of the polymer chains, which also elongate the ionic clusters to maintain strong electrostatic interactions throughout deformation. Furthermore, these insights are critical for future experimental realization of polymers with electric field regulated mechanical properties.

View Accepted Manuscript (DOE)

Research Organization:: Cornell Univ., Ithaca, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation

Contributing Organization:: Extreme Science and Engineering Discovery Environment

Grant/Contract Number:: SC0019141

OSTI ID:: 1775349

Alternate ID(s):: OSTI ID: 1804502

Journal Information:: Advanced Functional Materials, Journal Name: Advanced Functional Materials Journal Issue: 4 Vol. 31; ISSN 1616-301X

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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