Mapping Order in Semicrystalline Polymers using Machine Learning of Nanobeam Electron Diffraction

Abstract:Organic mixed ionic electronic conductors (OMIECs) are a promising class of polymer materials for applications spanning neuromorphic computation to energy efficient electronics and bioelectronics. Despite being highly tunable, the relationship between structural features and key performance properties such as charge carrier mobility is poorly understood. Scanning nanodiffraction in the transmission electron microscope (TEM) is a powerful probe for elucidating this structure-property relationship, but produces large, noisy datasets that are difficult to interpret because polymer reflections exhibit several distinct morphologies. To address the complexity, we trained a machine learning (ML) model to detect these polymer diffraction peaks and their intensities from synthetic data. Compared to correlative peak detection algorithms, the conventional method for analyzing nanobeam 4D scanning transmission electron microscopy (4DSTEM) data, we show that the ML model is significantly faster and outperforms correlative algorithms in almost all cases, opening up the possibility of near-live visualization of 4DSTEM experiments.

Submitted to ACS Macromolecules. Main text is 13 pages and 5 figures, 23 pages and 15 figures with supporting information

Materials Science (cond-mat.mtrl-sci); Machine Learning (cs.LG)

arXiv:2607.16570 [cond-mat.mtrl-sci]

(or arXiv:2607.16570v1 [cond-mat.mtrl-sci] for this version)

https://doi.org/10.48550/arXiv.2607.16570 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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