Local elastic properties of polystyrene nanocomposites increase significantly due to nonaffine deformations

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 poly...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Physical review. E 2022-01, Vol.105 (1), p.L012501-L012501, Article L012501
Hauptverfasser: Beltukov, Yaroslav M, Conyuh, Dmitry A, Solov'yov, Ilia A
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung: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.
ISSN:2470-0045
2470-0053
DOI:10.1103/PhysRevE.105.L012501