Single molecule demonstration of Debye-Stokes-Einstein breakdown in polystyrene near the glass transition temperature.

Mandel, Nicole L; Lee, Soohyun; Kim, Kimyung; Paeng, Keewook; Kaufman, Laura J · Nat Commun · 2022

basic_science · Level V

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Abstract

Rotational-translational decoupling, in which translational motion is apparently enhanced over rotational motion in violation of Stokes-Einstein (SE) and Debye-Stokes-Einstein (DSE) predictions, has been observed in materials near their glass transition temperatures (T<sub>g</sub>). This has been posited to result from ensemble averaging in the context of dynamic heterogeneity. In this work, ensemble and single molecule experiments are performed in parallel on a fluorescent probe in high molecular weight polystyrene near its T<sub>g</sub>. Ensemble results show decoupling onset at approximately 1.15T<sub>g</sub>, increasing to over three orders of magnitude at T<sub>g</sub>. Single molecule measurements also show a high degree of decoupling, with typical molecules at T<sub>g</sub> showing translational diffusion coefficients nearly 400 times higher than expected from SE/DSE predictions. At the single molecule level, higher degree of breakdown is associated with particularly mobile molecules and anisotropic trajectories, providing support for anomalous diffusion as a critical driver of rotational-translational decoupling and SE/DSE breakdown.