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. 2020 Jan 22;10(7):3745–3755. doi: 10.1039/c9ra08632c

Diffusion coefficient Dα of polymer obtained by MD simulations in the NVTE statistical ensemble.

Regime t (fs) α (Dα) (cm2 sα)
Mushroom [0, 105.2] 0.50 2.8 × 10−4
[105.2, 107] 1 1.4 × 10−6
Brush [0, 105.4] 0.34 2.2 × 10−4
[105.4, 107] 1 8.5 × 10−7