Figure 4 | Scientific Reports

Figure 4

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

Figure 4

(a) The mass density distribution of the PP chains around the SiO2 nanoparticle functionalized with the HMDS molecules. The density distribution is obtained in a thick square slab with thickness of ∆ = 5 Å. The color bar indicates the mass density range in units [g/cc]. (b) The radial mass density profiles of PP polymers calculated as a function of distance from the surface of functionalized SiO2 nanoparticle in the thermal equilibrium. The density profiles of PP for silica particle passivated with hydrogen (red circles) and in addition functionalized with HMDS (green diamonds) or OTES (blue squares) molecules are shown.

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