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Influence of nanoparticle size, loading, and shape on the mechanical properties of polymer nanocomposites
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10.1063/1.4767517
/content/aip/journal/jcp/137/21/10.1063/1.4767517
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/21/10.1063/1.4767517

Figures

Image of FIG. 1.
FIG. 1.

A snapshot of a polymer nanocomposite confined between two sticky walls. The first monomers of the polymer chains, represented as grey beads, are grafted to the top and bottom walls, while the spherical NPs are homogeneously dispersed in the matrix.

Image of FIG. 2.
FIG. 2.

Tensile stress as a function of strain for systems S1, S2, S3, and S4 (left) and S1, S3, S5, and S6 (right). For a description of their composition, see Table II.

Image of FIG. 3.
FIG. 3.

Snapshots from a tensile test (system S4). Colors are as in Fig. 1.

Image of FIG. 4.
FIG. 4.

Stress at failure as a function of loading for PNCs containing medium size spherical NPs. Lines are only guides for the eye.

Image of FIG. 5.
FIG. 5.

Stress as a function of strain for systems containing either spherical, triangular or rod-like nanoparticles at 15% mass loading. The inset shows the maximum stress at failure for systems containing spherical, triangular or rod-like nanoparticles at 15% loading and for triangular and rod-like nanoparticle setups at 27% loading.

Image of FIG. 6.
FIG. 6.

Tensile stress as a function of strain for PNCs containing different lengths of rod-like NPs and spherical NPs at 27% loading.

Image of FIG. 7.
FIG. 7.

Void distribution before and during the tensile test of the system S4. The grey beads represent the polymer chains and the NPs and the yellow beads represent the voids inside the PNC matrix. The left snapshot is taken before the tensile test begins, the middle one during the elastic phase and the right one during cavitation.

Image of FIG. 8.
FIG. 8.

Total and relative number of contacts during the tensile test of the system S4. Dashed lines indicate, from left to right, the start of the tensile test and the mechanical failure of the nanocomposite.

Tables

Generic image for table
Table I.

Potential parameters. Energy units for ε are eV and units of length for σ and r are Å. Force constants are expressed in eV/Å.

Generic image for table
Table II.

Compositions of the systems studied to highlight the role of the NP size on the mechanical performance of the PNC. In S2, S3, and S4 the nanoparticles have different sizes but fixed mass loading. In S3, S5, and S6 the nanoparticles have different sizes and loadings but their surface area is the same.

Generic image for table
Table III.

The influence of the mass of the spherical nanoparticles on the stress at failure. The default density ρ is the density of a chain monomer. The stresses at failure are expressed in 10−3 eV/Å.

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/content/aip/journal/jcp/137/21/10.1063/1.4767517
2012-12-04
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Influence of nanoparticle size, loading, and shape on the mechanical properties of polymer nanocomposites
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/21/10.1063/1.4767517
10.1063/1.4767517
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