skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


This content will become publicly available on December 1, 2026

Title: Recent advancements in neutron scattering techniques for quantifying the structure and dynamics of polymers
Neutron scattering techniques are powerful tools for characterizing the structure and dynamics of materials. They are particularly well-suited for studying polymer systems, which are typically rich in hydrogen. By combining neutron scattering with deuterium labeling, researchers can unravel complex structural features and dynamic behaviors within these systems. This review highlights recent advances in neutron scattering methods for probing the hierarchical structures and dynamics of polymeric materials, with a focus on developments over the past decade. We begin by discussing elastic techniques—such as small-angle neutron scattering (SANS)—used to examine polymer organization in both solution and solid states. Subsequently, we addressed the application of neutron reflectometry (NR) and grazing-incidence neutron scattering (GINS) techniques to the study of polymer thin-film structures. Next, we explore inelastic and quasi-elastic techniques, including inelastic neutron scattering (INS), quasi-elastic neutron scattering (QENS), and neutron spin echo (NSE), which provide insight into polymer dynamics across a broad range of time and length scales. Finally, we consider future directions for neutron scattering in soft matter research, emphasizing emerging methodologies and next-generation neutron sources that promise to further advance our understanding of these complex systems.  more » « less
Award ID(s):
2229686
PAR ID:
10651738
Author(s) / Creator(s):
; ;
Publisher / Repository:
Elsevier
Date Published:
Journal Name:
Progress in Polymer Science
Volume:
171
Issue:
C
ISSN:
0079-6700
Page Range / eLocation ID:
102041
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. null (Ed.)
    We incorporated polymer-grafted nanoparticles into ionic and zwitterionic liquids to explore the solvation and confinement effects on their heterogeneous dynamics using quasi-elastic neutron scattering (QENS). 1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (HMIM-TFSI) mixed with deuterated poly(methyl methacrylate) (d-PMMA)-grafted nanoparticles is studied to unravel how dynamic coupling between PMMA and HMIM-TFSI influence the fast and slow diffusion characteristics of the HMIM + cations. The zwitterionic liquid, 1-butyl-3-methyl imidazole-2-ylidene borane (BMIM-BH 3 ) is critically selected and mixed with PMMA-grafted nanoparticles for comparison in this work as its ions do not self-dissociate and it does not couple with PMMA through ion-dipole interactions as HMIM-TFSI does. We find that long-range unrestricted diffusion of HMIM + cations is higher in well-dispersed particles than in aggregated particle systems, whereas the localized diffusion of HMIM + is measured to be higher in close-packed particles. Translational diffusion dynamics of BMIM-BH 3 is not influenced by any particle structures suggesting that zwitterions do not interact with PMMA. This difference between two ionic liquid types enables us to decouple polymer effects from the diffusion of ionic liquids, which is integral to understand the ionic transport mechanism in ionic liquids confined in polymer-grafted nanoparticle electrolytes. 
    more » « less
  2. Abstract Polymer segmental dynamics in polymer nanocomposites (PNCs) can be significantly perturbed from bulk and underlie macroscopic mechanical and transport properties, but fundamental studies are necessary to build correlations between dynamics and properties. To elucidate a mechanistic description of this perturbation and isolate different molecular motions, we present quasi‐elastic neutron scattering (QENS) measurements on PNCs with attractive interactions comprised of colloidal silica nanoparticles (NPs) uniformly dispersed in poly(2‐vinyl pyridine) (P2VP) with and without backbone deuteration. Measurements of fully‐protonated P2VP probe the dynamics of both the polymer backbone and pyridine pendant group; whereas measurements of backbone‐deuterated P2VP isolate the dynamics of only the pyridine ring. On the small length scales (~1 nm) and fast time scales (~1 ns) captured by QENS, we show that the backbone and pyridine ring dynamics are highly coupled at high temperatures and both are slowed by about 35% relative to neat polymer in 25 vol% PNCs. This observation implies that the backbone and pendant interfacial dynamics are perturbed similarly in PNCs, which further develops our fundamental understanding of microscopic properties in PNCs. 
    more » « less
  3. The molecular morphology and dynamics of conjugated polymers in the bulk solid state play a significant role in determining macroscopic charge transport properties. To understand this relationship, molecular dynamics (MD) simulations and quantum mechanical calculations are used to evaluate local electronic properties. In this work, we investigate the importance of system and simulation parameters, such as force fields and equilibration methods, when simulating amorphous poly(3-hexylthiophene) (P3HT), a model semiconducting polymer. An assessment of MD simulations for five different published P3HT force fields is made by comparing results to experimental wide-angle X-ray scattering (WAXS) and to a broad range of quasi-elastic neutron scattering (QENS) data. Moreover, an in silico analysis of force field parameters reveals that atomic partial charges and torsion potentials along the backbone and side chains have the greatest impact on structure and dynamics related to charge transport mechanisms in P3HT. 
    more » « less
  4. Despite substantial research efforts in developing high-voltage sodium-ion batteries (SIBs) as high-energy-density alternatives to complement lithium-ion-based energy storage technologies, the lifetime of high-voltage SIBs is still associated with many fundamental scientific questions. In particular, the structure phase transition, oxygen loss, and cathode–electrolyte interphase (CEI) decay are intensely discussed in the field. Synchrotron X-ray and neutron scattering characterization techniques offer unique capabilities for investigating the complex structure and dynamics of high-voltage cathode behavior. In this review, to accelerate the development of stable high-voltage SIBs, we provide a comprehensive and thorough overview of the use of synchrotron X-ray and neutron scattering in studying SIB cathode materials with an emphasis on high-voltage layered transition metal oxide cathodes. We then discuss these characterizations in relation to polyanion-type cathodes, Prussian blue analogues, and organic cathode materials. Finally, future directions of these techniques in high-voltage SIB research are proposed, including CEI studies for polyanion-type cathodes and the extension of neutron scattering techniques, as well as the integration of morphology and phase characterizations. 
    more » « less
  5. Conjugated polymers have been widely investigated where ladder-type conjugated polymers receive more attention due to their rigid backbones and extraordinary properties. However, the understanding of how the rigid conformation of ladder polymers translates to material properties is still limited. Here, we systematically investigated the solution aggregation properties of a carbazole-derived conjugated ladder polymer (LP) and its analogous non-ladder control polymer (CP) via light scattering, neutron scattering, and UV-vis absorption spectroscopy characterization techniques, revealing a highly robust, temperature-insensitive aggregation behavior of the LP. The experimental findings were further validated by computational molecular dynamics simulations. We found that the peak positions and intensities of the UV spectra of the LP remained constant between 20 °C and 120 °C in chlorobenzene solution. The polymer also showed a stable hydrodynamic radius measured by dynamic light scattering from 20 °C to 70 °C in the chlorobenzene solution. Using small-angle neutron scattering, no Guinier region was reached in the measured q range down to 0.008 Å −1 , even at elevated temperature. In contrast, the non-ladder control polymer CP was fully soluble in the chlorobenzene solvent without the observation of any notable aggregates. The Brownian dynamics simulation showed that during polymer aggregation, the entropy change of the LP was significantly less negative than that of the non-ladder control polymer. These findings revealed the low entropy nature of rigid conjugated ladder polymers and the low entropy penalty for their aggregation, which is promising for highly robust intermolecular interactions at high temperatures. Such a unique thermodynamic feature of rigid ladder polymers can be leveraged in the design and application of next-generation electronic and optoelectronic devices that function under unconventional high temperature conditions. 
    more » « less