Local elastic properties of polystyrene nanocomposites increase significantly due to nonaffine deformations.
basic_science · Level V
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- Record sourced from PubMed, PMID 35193276.
- Also identified by DOI 10.1103/PhysRevE.105.L012501.
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Abstract
We investigate the local elastic properties of polystyrene doped with SiO_{2} nanoparticles by analyzing the local density fluctuations. The density fluctuations were established from coarse-grained molecular dynamics simulations performed with the MARTINI force field. A significant increase in polystyrene stiffness was revealed within a characteristic range of 1.4 nm from the nanoparticle, while polystyrene density saturates to the bulk value at significantly shorter distances. The enhancement of the local elastic properties of the polymer was attributed to the effect of nonaffine deformations at the length scale below 1 nm, which was further confirmed through the random matrix model with variable strength of disorder.