A molecular dynamics simulation study of the viscoelastic properties of polymer nanocomposites

By Grant D. Smith, Dmitry Bedrov, Liwei Li, O. Byutner. 2002

262 citations recorded by the source corpus.

Subfields: Materials Chemistry, Polymers and Plastics

View Paper: https://www.semanticscholar.org/paper/449c684058ded95c992460e9fb1a22455b70d5c9

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In Materials Chemistry

In Polymers and Plastics

Citations in the corpus

The effect of graphene dispersion on the mechanical properties of graphene/epoxy composites (2013, background): “[55] Smith GD, Bedrov D, Li L, Byutner O.”
Computational materials: Multi-scale modeling and simulation of nanostructured materials (2005, background): “For example, the theory for viscoelastic properties is available [18], but the practice is very limited by the requirement to accurately represent the time frame of the material processes [19].”
Reinforcement mechanisms in MWCNT-filled polycarbonate (2006, background): “While the polymer properties in the interphase are not well understood, it is clear that the mobility of the polymer is often altered in this region [20,21].”
Reinforcing efficiency of nanoparticles: A simple comparison for polymer nanocomposites (2008, background): “The extent of the influence of the nanoparticle on polymer chain dynamics can be several times the radius of gyration of the host polymer long chain molecules [20,24,25] (also indirectly from thin film literature [26,27]).”
Functionalized graphene sheets for polymer nanocomposites. (2008, background): “Such an effect has been suggested by recent molecular dynamics studies that show altered polymer mobility due to geometric constraints at nanoparticle surface”
Theories and simulations of polymer-based nanocomposites: From chain statistics to reinforcement (2008, background): “[70], in which the chains are modelled as bead-necklace chains of 20 LJ units with constrained bond lengths, while the single nanoparticle placed in the base cell is modelled as a nearly spherical array of the same units, maintained rigid through the use of bond constraints.”