Fig. 2: Detailed microscopic dynamics revealed by molecular simulations.
a Schematic of a rodlike particle of diameter d and length L in a macromolecular network with mesh size ax. b 〈∆z2(t)〉 for different L/ax at d/ax = 1.4. c D for different L/ax at d/ax = 1.4. d Typical trajectories of the center of mass of the corresponding rods with L/ax = 2.6 (red) and L/ax = 3.1 (green) at d/ax = 1.4 along z-axis, where thin lines represent unsmoothed original displacement while thick lines represent smoothed displacement determined by a wavelet-based method71. Simulated Gs(z, t) of rods with (e) L/ax = 2.6 and (f) L/ax = 3.1 at d/ax = 1.4 along z-axis, showing hopping-type diffusion and fast diffusion respectively. g \({\alpha }_{1}\) for Brownian dynamics (cyan), fast dynamics (blue) and hopping dynamics (red). h Diagram of rod dynamics interrelating to L/ax and d/ax. Circles: simulation results of (red) hopping, (cyan) fast, and (purple) trapped diffusion beheviors. The contour map: theoretical results of Ub with various d/ax and L/ax. The green lines: boundary (where Ub = kBT) between the fast and hopping regimes, determined by a theoretical model. The color bar at the upper right corner indicates the value of Ub. i 〈∆z 2(t)〉 and D for different L/ax at d/ax = 0.18.
