Fig. 3: Strengthening mechanism of PVA ionic gel using molecular dynamics simulation. | Nature Communications

Fig. 3: Strengthening mechanism of PVA ionic gel using molecular dynamics simulation.

From: In-situ localised alignment assisted salting-out enhanced ionogels with high strength, toughness and impact resistance

Fig. 3

The molecular dynamics-optimized configurations of a EG-EG, b EG-ILs, and c ILs-ILs. d The interaction energies between EG-EG, EG-ILs, and ILs-ILs. e The molecular configurations of the organic gel in the molecular dynamics simulation. f The molecular configuration of the PL-gel in the simulation. g The radial distribution functions of F-H collected in the PL-gel. In the 1000 ps NVT analysis, the h trajectory and i mean square displacement (MSD) of EG in different gels. Color codes for atoms in (a–c, e, f): Gray, white, red, blue, cyan, and pink spheres represent carbon (C), hydrogen (H), oxygen (O), nitrogen (N), fluorine (F), and boron (B) atoms, respectively.

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