Fig. 6: Molecular dynamics characterizations of the cement-hydrogel interface bonding (For C-S-H, green balls denote calcium ions, yellow and red sticks denote silicate tetrahedra, red and white sticks denote hydroxyl groups; for PVA, grey, red, and white balls denote carbon, oxygen, and hydrogen atoms, respectively). | Nature Communications

Fig. 6: Molecular dynamics characterizations of the cement-hydrogel interface bonding (For C-S-H, green balls denote calcium ions, yellow and red sticks denote silicate tetrahedra, red and white sticks denote hydroxyl groups; for PVA, grey, red, and white balls denote carbon, oxygen, and hydrogen atoms, respectively).

From: Multi-layered cement-hydrogel composite with high toughness, low thermal conductivity, and self-healing capability

Fig. 6

a Interface interaction energies between C-S-H and PVA hydrogel at saturated and dry states. b RDF profiles of different interfacial connections on the C-S-H/PVA interface. c TCF profiles of different interfacial connections on the C-S-H/PVA interface. d A snapshot of Ca-O connections and H bonds on the C-S-H/PVA interface. e Snapshots of the C-S-H/PVA composite tensioned at the strain of 0, 0.2, 0.4, 0.6 and 0.8.

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