Figure 3 | Scientific Reports

Figure 3

From: Atomistic-scale analysis of the deformation and failure of polypropylene composites reinforced by functionalized silica nanoparticles

Figure 3

Atomistic models for SiO2 nanoparticle with the surface passivated by hydrogen (a) and functionalized with HMDS (b) and OTES (c). The surface coverage with the functional molecules is ns = 5%. Hydrogen atoms are white, carbon atoms are grey, oxygen atoms are red and silicon atoms are yellow. The BIOVIA Materials Studio 2020 VERNO 20.1.0.2728 (https://www.3ds.com/products-services/biovia/products/molecular-modeling-simulation/biovia-materials-studio) was used to create the drawings in the figure.

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