Nanomechanics of Shear Rate-Dependent Stiffening in Micellar Electrically Conductive Polymers

Fuente: arXiv
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Autori principali: Wang, Jingchen, Hu, Tianqi, Yeo, Jingjie
Natura: Preprint
Pubblicazione: 2025
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author Wang, Jingchen
Hu, Tianqi
Yeo, Jingjie
author_facet Wang, Jingchen
Hu, Tianqi
Yeo, Jingjie
contents Electrically conducting polymers with mechanical adaptability are essential for flexible electronics, yet most suffer structural degradation under rapid deformation. In this study, multiscale coarse-grained (MSCG) simulations are used to uncover the nanoscale origins of an unusual strain-rate-dependent stiffening in a poly(2-acrylamido-2-methyl-1-propanesulfonic acid) (PAMPSA)-polyaniline (PANI) blend. The self-assembled morphology consists of semi-crystalline PANI-rich micellar cores dispersed in a soft, viscoelastic PAMPSA matrix. At low shear rates, micelles migrate and coalesce into larger aggregates, enhancing local crystallinity and transient entanglement density while dissipating stress through matrix deformation. At high shear rates, micelles cannot reorganize quickly enough, leading to core dissociation and the emergence of highly aligned PANI filaments that directly bear the load, with PAMPSA serving as a weak but extended support phase. These contrasting regimes (densification-driven local alignment versus dissociation-driven global alignment) enable reversible mechanical stiffening across three orders of magnitude in shear rate. The results provide a molecular-level framework for designing solid-state polymers with tunable, rate-adaptive mechanical properties.
format Preprint
id arxiv_https___arxiv_org_abs_2510_26916
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Nanomechanics of Shear Rate-Dependent Stiffening in Micellar Electrically Conductive Polymers
Wang, Jingchen
Hu, Tianqi
Yeo, Jingjie
Soft Condensed Matter
Materials Science
Electrically conducting polymers with mechanical adaptability are essential for flexible electronics, yet most suffer structural degradation under rapid deformation. In this study, multiscale coarse-grained (MSCG) simulations are used to uncover the nanoscale origins of an unusual strain-rate-dependent stiffening in a poly(2-acrylamido-2-methyl-1-propanesulfonic acid) (PAMPSA)-polyaniline (PANI) blend. The self-assembled morphology consists of semi-crystalline PANI-rich micellar cores dispersed in a soft, viscoelastic PAMPSA matrix. At low shear rates, micelles migrate and coalesce into larger aggregates, enhancing local crystallinity and transient entanglement density while dissipating stress through matrix deformation. At high shear rates, micelles cannot reorganize quickly enough, leading to core dissociation and the emergence of highly aligned PANI filaments that directly bear the load, with PAMPSA serving as a weak but extended support phase. These contrasting regimes (densification-driven local alignment versus dissociation-driven global alignment) enable reversible mechanical stiffening across three orders of magnitude in shear rate. The results provide a molecular-level framework for designing solid-state polymers with tunable, rate-adaptive mechanical properties.
title Nanomechanics of Shear Rate-Dependent Stiffening in Micellar Electrically Conductive Polymers
topic Soft Condensed Matter
Materials Science
url https://arxiv.org/abs/2510.26916